Geometry & MOs

Info

ID:

408654

PubChem CID:

135081422

Reduced:

NO2C10H18 (1)

Stoich.:

AB2C10D18 (1)

Weight, g/mol:

163.979509

ΔHf, kcal/mol:

-95.72

Dipole, Da:

2.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.898562

Charge, e:

 0

Chem-info

IUPAC name:

potassium;1-chloro-2-methanidylbenzene

Drug info:

PubChemData

Smile

CC([CH]C=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations