Geometry & MOs

Info

ID:	358514
PubChem CID:	127296110
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	15.03
Dipole, Da:	5.5
IP(EA), eV:	-8.96(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC=CC=C3N4C=CC=N4

DOS

IR

Vibrations