Geometry & MOs

Info

ID:	277169
PubChem CID:	103827126
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	295.027917
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	2.83
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-(4,6-dimethylpyridin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=C(C=CC(=C1)N)Br

DOS

IR

Vibrations