Geometry & MOs

Info

ID:	64448
PubChem CID:	29200661
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	510.247835
ΔH_f, kcal/mol:	-112.19
Dipole, Da:	7.23
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-oxo-1-phenyl-N-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations