Geometry & MOs

Info

ID:	64445
PubChem CID:	29200658
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	508.26857
ΔH_f, kcal/mol:	-110.41
Dipole, Da:	2.67
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations