Geometry & MOs

Info

ID:

412998

PubChem CID:

135085942

Reduced:

N2O2C7H11 (1)

Stoich.:

A2B2C7D11 (1)

Weight, g/mol:

205.878609

ΔHf, kcal/mol:

-14.96

Dipole, Da:

5.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780384

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-N,2,2-trichloro-2-cyanoethanimidoyl chloride

Drug info:

PubChemData

Smile

CC/C=C/C(=C(\O)/OC)/[N+]#N

DOS

IR

Vibrations