Geometry & MOs

Info

ID:	282143
PubChem CID:	103916977
Reduced:	ClBr2N3O3H6C12 (1)
Stoich.:	AB2C3D3E6F12 (1)
Weight, g/mol:	349.04259
ΔH_f, kcal/mol:	14.41
Dipole, Da:	3.97
IP(EA), eV:	-9.66(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)NC(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl)Br

DOS

IR

Vibrations