Geometry & MOs

Info

ID:	207847
PubChem CID:	80460354
Reduced:	ClNOF2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	251.05132
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	4.08
IP(EA), eV:	-9.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloropyridin-4-yl)-(2-fluoro-5-methylphenyl)methanol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(C2=C(C=C(C=C2)Cl)F)N

DOS

IR

Vibrations