Geometry & MOs

Info

ID:	375068
PubChem CID:	131465418
Reduced:	BrClNOF3H6C8 (1)
Stoich.:	ABCDE3F6G8 (1)
Weight, g/mol:	302.92734
ΔH_f, kcal/mol:	-191.52
Dipole, Da:	2.48
IP(EA), eV:	-9.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)OC(F)(F)F)Br)CCl

DOS

IR

Vibrations