Geometry & MOs

Info

ID:	375065
PubChem CID:	131465413
Reduced:	BrClON2F3H5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	302.92734
ΔH_f, kcal/mol:	-179.18
Dipole, Da:	2.9
IP(EA), eV:	-9.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)Br)Cl)OC(F)(F)F)CN

DOS

IR

Vibrations