Geometry & MOs

Info

ID:	206229
PubChem CID:	80222113
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	287.032476
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	3.91
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(C2=NC=C(C=C2)Cl)O)OC

DOS

IR

Vibrations