Geometry & MOs

Info

ID:	440216
PubChem CID:	135230127
Reduced:	ClN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	1096.655918
ΔH_f, kcal/mol:	40.25
Dipole, Da:	6.53
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-acetyl-2-[5-[5-[(1,4-dimethyl-2,3-dihydropyrrol-2-yl)methylideneamino]-4-formyl-2-methoxyphenoxy]pentoxy]-4-[[(Z)-2,4-dimethylhex-4-enylidene]amino]phenoxy]propyl]-3-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

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[C@H]1CNCC2=CC3=CN=C(N=C3N12)Cl

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[C@H]1CNCC2=CC3=CN=C(N=C3N12)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):