Geometry & MOs

Info

ID:	372324
PubChem CID:	131296197
Reduced:	NF2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	213.060135
ΔH_f, kcal/mol:	-135.36
Dipole, Da:	4.27
IP(EA), eV:	-9.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1C#N)CO)C(F)F

DOS

IR

Vibrations