Geometry & MOs

Info

ID:	64457
PubChem CID:	29200708
Reduced:	BrO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	498.12665
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	6.49
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Br

DOS

IR

Vibrations