Geometry & MOs

Info

ID:	156322
PubChem CID:	56370077
Reduced:	NOC11H16 (2)
Stoich.:	ABC11D16 (2)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	2.65
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3=CC=C(C=C3)OCC4CC4

DOS

IR

Vibrations