Geometry & MOs

Info

ID:	171830
PubChem CID:	75432149
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	324.96175
ΔH_f, kcal/mol:	-65.98
Dipole, Da:	5.08
IP(EA), eV:	-9.33(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-5-methylpyridin-2-yl)-4-chloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CO)N(C)C(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations