Geometry & MOs

Info

ID:	357379
PubChem CID:	127294012
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	3.38
IP(EA), eV:	-8.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=CC(=C2)CNC(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations