Geometry & MOs

Info

ID:	363709
PubChem CID:	127313327
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-114.56
Dipole, Da:	3.9
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)N(C)CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations