Geometry & MOs

Info

ID:	46142
PubChem CID:	10522443
Reduced:	NO4C11H22 (1)
Stoich.:	AB4C11D22 (1)
Weight, g/mol:	358.100354
ΔH_f, kcal/mol:	-162.75
Dipole, Da:	0.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750837
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-3,3-dichloro-4-(4-methylphenyl)-2-phenyl-1-propan-2-ylazetidine-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@]1(C[N+](C[C@H](O1)CC(=O)OC)(C)C)CO

DOS

IR

Vibrations