Geometry & MOs

Info

ID:	375084
PubChem CID:	131465884
Reduced:	NSO3H7C9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	2.9
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CSC1=C(OC=C1)C(=O)C2=NOC=C2

DOS

IR

Vibrations