Geometry & MOs

Info

ID:	89729
PubChem CID:	49964129
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	319.998255
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	0.79
IP(EA), eV:	-8.78(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C2=CC=CN2C)O

DOS

IR

Vibrations