Geometry & MOs

Info

ID:	375067
PubChem CID:	131465416
Reduced:	BrClNOF3H6C8 (1)
Stoich.:	ABCDE3F6G8 (1)
Weight, g/mol:	302.92734
ΔH_f, kcal/mol:	-187.33
Dipole, Da:	1.77
IP(EA), eV:	-10.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(chloromethyl)-6-methyl-2-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1Br)OC(F)(F)F)CCl

DOS

IR

Vibrations