Geometry & MOs

Info

ID:	322969
PubChem CID:	126671659
Reduced:	O2N4C37H56 (1)
Stoich.:	A2B4C37D56 (1)
Weight, g/mol:	592.398856
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	4.8
IP(EA), eV:	-8.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[2-(tert-butylamino)ethoxy]furo[3,2-b]pyridin-2-yl]-N-[3-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxypropyl]-2,5-dimethylhexan-2-amine

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

CC(C)(C)CC1=CC2=C(C=C1)C=C(O2)CCNC(C)(C)CCC(C)(C)C3=CN4C=C(C=CC4=N3)OCCCNC(C)(C)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

CC(C)(C)CC1=CC2=C(C=C1)C=C(O2)CCNC(C)(C)CCC(C)(C)C3=CN4C=C(C=CC4=N3)OCCCNC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):