Geometry & MOs

Info

ID:	414079
PubChem CID:	135087033
Reduced:	N2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	418.90179
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	7.72
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(2,5-dimethoxyphenyl)-4-iodopyridine

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(N1)NC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations