Geometry & MOs

Info

ID:	372321
PubChem CID:	131296172
Reduced:	ClN4C7H7 (1)
Stoich.:	AB4C7D7 (1)
Weight, g/mol:	197.028835
ΔH_f, kcal/mol:	84.92
Dipole, Da:	5.79
IP(EA), eV:	-9.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-2-formyl-6-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C1C(CN1)N2C=C(N=C2Cl)C#N

DOS

IR

Vibrations