Geometry & MOs

Info

ID:	372343
PubChem CID:	131296446
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	216.051047
ΔH_f, kcal/mol:	-156.13
Dipole, Da:	3.13
IP(EA), eV:	-9.22(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-4-hydroxy-2-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CC#N)O)N)C(F)(F)F

DOS

IR

Vibrations