Geometry & MOs

Info

ID:	235505
PubChem CID:	92709858
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	373.215413
ΔH_f, kcal/mol:	8.34
Dipole, Da:	1.86
IP(EA), eV:	-8.94(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C[C@H](C2=CC=CC(=C2)C)N3C=CC=C3

DOS

IR

Vibrations