Geometry & MOs

Info

ID:	138474
PubChem CID:	52370687
Reduced:	NC5H12 (1)
Stoich.:	AB5C12 (1)
Weight, g/mol:	355.14514
ΔH_f, kcal/mol:	33.43
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753842
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-phenylazetidin-2-one

Drug info:

PubChemData

Smile

CCC1(CC1)[NH3+]

DOS

IR

Vibrations