Geometry & MOs

Info

ID:	372563
PubChem CID:	131299816
Reduced:	F2N2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	4.55
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=CC(=C(C(=C1)F)F)N

DOS

IR

Vibrations