Geometry & MOs

Info

ID:	372322
PubChem CID:	131296173
Reduced:	NF2O2H5C9 (1)
Stoich.:	AB2C2D5E9 (1)
Weight, g/mol:	199.044485
ΔH_f, kcal/mol:	-114.56
Dipole, Da:	3.86
IP(EA), eV:	-10.16(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-5-hydroxy-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations