Geometry & MOs

Info

ID:	275489
PubChem CID:	103816437
Reduced:	BrClN2O2C11H14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	424.81559
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	6.84
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(5-bromo-6-chloropyridin-3-yl)-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOCCCC(=O)NC1=CC(=C(N=C1)Cl)Br

DOS

IR

Vibrations