Geometry & MOs

Info

ID:	446968
PubChem CID:	135279166
Reduced:	ON4C36H36 (1)
Stoich.:	AB4C36D36 (1)
Weight, g/mol:	668.518697
ΔH_f, kcal/mol:	116.12
Dipole, Da:	4.06
IP(EA), eV:	-8.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-3-[(2R)-5-[2-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-yl]oxypropan-2-ol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN([C@@H](CC1=CC=CC=C1)CO)C(=N)C2=C(N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5)N=C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN([C@@H](CC1=CC=CC=C1)CO)C(=N)C2=C(N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5)N=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):