Geometry & MOs

Info

ID:	64439
PubChem CID:	29200644
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	480.23727
ΔH_f, kcal/mol:	-85.02
Dipole, Da:	6.36
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations