Geometry & MOs

Info

ID:	372319
PubChem CID:	131296164
Reduced:	NF2O2H5C9 (1)
Stoich.:	AB2C2D5E9 (1)
Weight, g/mol:	197.028835
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	3.99
IP(EA), eV:	-10.28(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)C(F)F)O)C=O

DOS

IR

Vibrations