Geometry & MOs

Info

ID:	375066
PubChem CID:	131465414
Reduced:	BrClNOF3H6C8 (1)
Stoich.:	ABCDE3F6G8 (1)
Weight, g/mol:	302.92734
ΔH_f, kcal/mol:	-189.08
Dipole, Da:	4.26
IP(EA), eV:	-9.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1CCl)OC(F)(F)F)Br

DOS

IR

Vibrations