Geometry & MOs

Info

ID:	175732
PubChem CID:	75942260
Reduced:	NF2O4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-185.78
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC(=O)NC(CC2=CC(=CC=C2)F)C3=CC(=CC=C3)F)OC

DOS

IR

Vibrations