Geometry & MOs

Info

ID:

387533

PubChem CID:

134985743

Reduced:

O2N3C12H22 (1)

Stoich.:

A2B3C12D22 (1)

Weight, g/mol:

206.105528

ΔHf, kcal/mol:

-41.3

Dipole, Da:

2.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.921263

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-1-oxo-3-phenylpropan-2-yl)ethanimine oxide

Drug info:

PubChemData

Smile

CCO/C(=C(/C(C(C)C)N1CCCC1)\[N+]#N)/O

DOS

IR

Vibrations