Geometry & MOs

Info

ID:	373301
PubChem CID:	131312912
Reduced:	ION2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	282.98196
ΔH_f, kcal/mol:	26.05
Dipole, Da:	3.81
IP(EA), eV:	-8.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CC#N)I)N

DOS

IR

Vibrations