Geometry & MOs

Info

ID:	358473
PubChem CID:	127296069
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	4.27
IP(EA), eV:	-8.59(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations