Geometry & MOs

Info

ID:	371994
PubChem CID:	131284678
Reduced:	ClNC9H10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	213.060135
ΔH_f, kcal/mol:	26.65
Dipole, Da:	1.52
IP(EA), eV:	-9.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethoxy)-2-(hydroxymethyl)-3-methylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)/C=C\CN

DOS

IR

Vibrations