Geometry & MOs

Info

ID:	19783
PubChem CID:	572614
Reduced:	ClON2F3H10C16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	338.043375
ΔH_f, kcal/mol:	-128.46
Dipole, Da:	4.99
IP(EA), eV:	-9.83(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(C2=CC(=NC3=C2C=C(C=C3)Cl)C(F)(F)F)O

DOS

IR

Vibrations