Geometry & MOs

Info

ID:	235621
PubChem CID:	92710184
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	1.23
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C[C@@H](C2=CC=CC=C2)N3C=CC=C3

DOS

IR

Vibrations