Geometry & MOs

Info

ID:	372412
PubChem CID:	131297255
Reduced:	FNO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	181.053907
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	7.65
IP(EA), eV:	-9.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-(hydroxymethyl)-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations