Geometry & MOs

Info

ID:

407463

PubChem CID:

135080179

Reduced:

FN2H8C9 (1)

Stoich.:

AB2C8D9 (1)

Weight, g/mol:

247.950711

ΔHf, kcal/mol:

36.42

Dipole, Da:

2.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.002377

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S)-2-chloro-3-(trichloromethyl)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=[NH+]N2)F

DOS

IR

Vibrations