Geometry & MOs

Info

ID:

387256

PubChem CID:

134984594

Reduced:

Cl2N2C3H3 (1)

Stoich.:

A2B2C3D3 (1)

Weight, g/mol:

399.064584

ΔHf, kcal/mol:

50.29

Dipole, Da:

2.81

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.815800

Charge, e:

0

Chem-info

IUPAC name:

triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-lambda5-phosphane

Drug info:

PubChemData

Smile

CC(=C(Cl)Cl)[N+]#N

DOS

IR

Vibrations