Geometry & MOs

Info

ID:	374471
PubChem CID:	131329833
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	414.80834
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	1.58
IP(EA), eV:	-9.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(chloromethyl)-2-iodo-6-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1[C@@](CCC2)(CO)N)Br

DOS

IR

Vibrations