Geometry & MOs

Info

ID:

179873

PubChem CID:

76548506

Reduced:

NO3C5H8 (1)

Stoich.:

AB3C5D8 (1)

Weight, g/mol:

163.099714

ΔHf, kcal/mol:

-105.82

Dipole, Da:

2.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752634

Charge, e:

 0

Chem-info

IUPAC name:

3-methoxy-1-phenylazetidine

Drug info:

PubChemData

Smile

C(CC(C(=O)O)N)[C]=O

DOS

IR

Vibrations