Geometry & MOs

Info

ID:	89635
PubChem CID:	49963208
Reduced:	ClOSH9C11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	277.071448
ΔH_f, kcal/mol:	-1.71
Dipole, Da:	1.65
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(C2=CSC=C2)O

DOS

IR

Vibrations