Geometry & MOs

Info

ID:	358515
PubChem CID:	127296111
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	3.41
IP(EA), eV:	-8.87(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NC3CCN(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations