Geometry & MOs

Info

ID:	373218
PubChem CID:	131311753
Reduced:	BrNOF3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	282.98196
ΔH_f, kcal/mol:	-191.18
Dipole, Da:	1.6
IP(EA), eV:	-9.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-3,6-dimethyl-2-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC(F)(F)F)CBr)C

DOS

IR

Vibrations