Geometry & MOs

Info

ID:	374682
PubChem CID:	131342402
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	196.064806
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	5.28
IP(EA), eV:	-9.97(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-fluoro-2-hydroxy-5-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2F)C#N)[C@@](C1)(CO)N

DOS

IR

Vibrations