Geometry & MOs

Info

ID:	235503
PubChem CID:	92709847
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	4.01
IP(EA), eV:	-8.78(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NCC2=CC=CO2)N3C=CC=C3

DOS

IR

Vibrations