Geometry & MOs

Info

ID:	215865
PubChem CID:	85085363
Reduced:	SH3N5C6 (1)
Stoich.:	AB3C5D6 (1)
Weight, g/mol:	178.060549
ΔH_f, kcal/mol:	146.97
Dipole, Da:	5.05
IP(EA), eV:	-9.36(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol

Drug info:

PubChemData

Smile

C(#N)C1C(=S)N=C(C(=N1)C#N)N

DOS

IR

Vibrations