Geometry & MOs

Info

ID:	368724
PubChem CID:	127329943
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	1.75
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-ethylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NCC2=C(N=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations