Geometry & MOs

Info

ID:	235451
PubChem CID:	92709683
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	373.215413
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	5.13
IP(EA), eV:	-8.57(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](CC(=O)NCC2=CC=C(C=C2)OC)N3C=CC=C3

DOS

IR

Vibrations