Geometry & MOs

Info

ID:	286581
PubChem CID:	104179017
Reduced:	BrClON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	324.96175
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	3.38
IP(EA), eV:	-9.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-5-methylpyridin-3-yl)-3-chloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)NC(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations