Geometry & MOs

Info

ID:	375059
PubChem CID:	131465400
Reduced:	BrClNOF3H6C8 (1)
Stoich.:	ABCDE3F6G8 (1)
Weight, g/mol:	302.92734
ΔH_f, kcal/mol:	-186.25
Dipole, Da:	1.68
IP(EA), eV:	-10.35(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(chloromethyl)-2-methyl-5-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=C1OC(F)(F)F)Br)CCl

DOS

IR

Vibrations