Geometry & MOs

Info

ID:	322005
PubChem CID:	126668075
Reduced:	ClN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	348.079619
ΔH_f, kcal/mol:	-111.76
Dipole, Da:	7.72
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3,6-bis[(4-chlorophenyl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C(=O)N[C@H](C)CC2=CC=C(C=C2)C3=C(N(C(=O)N(C3=O)C)C)C

DOS

IR

Vibrations