Geometry & MOs

Info

ID:	297290
PubChem CID:	117614593
Reduced:	FOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	178.034254
ΔH_f, kcal/mol:	-151.42
Dipole, Da:	3.32
IP(EA), eV:	-9.05(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-difluoro-5-methylbenzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CCC(C(=C1)F)(OC2=C(C=C(C=C2)C)O)F

DOS

IR

Vibrations