Geometry & MOs

Info

ID:	305849
PubChem CID:	124971520
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	8.4
IP(EA), eV:	-8.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-4-acetyl-3-phenylpiperazin-1-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@H]1CN(CCN1C(=O)C2=CC(=CC=C2)OC3=NC=CC=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations