Geometry & MOs

Info

ID:	373217
PubChem CID:	131311731
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	282.98196
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	3.22
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-2,5-dimethyl-4-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1Cl)C(=O)C)N

DOS

IR

Vibrations