Geometry & MOs

Info

ID:	235517
PubChem CID:	92709892
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	387.231063
ΔH_f, kcal/mol:	11.66
Dipole, Da:	2.08
IP(EA), eV:	-9.03(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NCCC2=CC=CC=C2)N3C=CC=C3

DOS

IR

Vibrations