Geometry & MOs

Info

ID:	372323
PubChem CID:	131296178
Reduced:	NF2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	213.060135
ΔH_f, kcal/mol:	-130.0
Dipole, Da:	5.47
IP(EA), eV:	-9.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-2-(hydroxymethyl)-6-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(F)F)C#N)O

DOS

IR

Vibrations