Geometry & MOs

Info

ID:	287135
PubChem CID:	104233760
Reduced:	FNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	6.44
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-methoxyphenyl)-3-hydroxy-2-methylbutanenitrile

Drug info:

PubChemData

Smile

CCC(C)(C#N)C(C)(C1=C(C=CC=C1F)OC)O

DOS

IR

Vibrations