Geometry & MOs

Info

ID:	375060
PubChem CID:	131465403
Reduced:	BrClNOF3H6C8 (1)
Stoich.:	ABCDE3F6G8 (1)
Weight, g/mol:	302.92734
ΔH_f, kcal/mol:	-184.97
Dipole, Da:	2.89
IP(EA), eV:	-10.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations