Geometry & MOs

Info

ID:	393471
PubChem CID:	135020701
Reduced:	N3O3C20H22 (1)
Stoich.:	A3B3C20D22 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-18.08
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757345
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4S)-2-oxo-4-phenyl-1-(2-phenylethyl)azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CCO/C(=C(/C(=O)N(CCC1=CC=CC=C1)CC2=CC=CC=C2)\[N+]#N)/O

DOS

IR

Vibrations