Geometry & MOs

Info

ID:	177728
PubChem CID:	76221188
Reduced:	FNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	198.060469
ΔH_f, kcal/mol:	-41.83
Dipole, Da:	2.9
IP(EA), eV:	-9.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4,5-difluoro-2-hydroxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC=CC(=O)N)F

DOS

IR

Vibrations