Geometry & MOs

Info

ID:	372342
PubChem CID:	131296417
Reduced:	OSF3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	216.051047
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	4.96
IP(EA), eV:	-9.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)SC=C2C(F)(F)F)C=O

DOS

IR

Vibrations