Geometry & MOs

Info

ID:	374066
PubChem CID:	131323236
Reduced:	OF4H6C9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	340.95245
ΔH_f, kcal/mol:	-216.87
Dipole, Da:	4.99
IP(EA), eV:	-10.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-iodo-2-methoxy-6-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(F)(F)F)C=O)F

DOS

IR

Vibrations