Geometry & MOs

Info

ID:	235462
PubChem CID:	92709711
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	13.04
Dipole, Da:	4.2
IP(EA), eV:	-8.76(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)-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