Geometry & MOs

Info

ID:	305850
PubChem CID:	124971522
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-46.25
Dipole, Da:	1.51
IP(EA), eV:	-9.23(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@H]1C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations