Geometry & MOs

Info

ID:	358511
PubChem CID:	127296107
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-159.91
Dipole, Da:	2.92
IP(EA), eV:	-9.16(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2CCCCO2

DOS

IR

Vibrations