Geometry & MOs

Info

ID:

46053

PubChem CID:

10520821

Reduced:

NO2C14H22 (1)

Stoich.:

AB2C14D22 (1)

Weight, g/mol:

215.053061

ΔHf, kcal/mol:

-97.8

Dipole, Da:

2.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.025941

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C(=C1)C(C)C)CC(=O)O)C(C)C

DOS

IR

Vibrations