Geometry & MOs

Info

ID:	272026
PubChem CID:	103718993
Reduced:	BrO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	310.9461
ΔH_f, kcal/mol:	1.82
Dipole, Da:	3.48
IP(EA), eV:	-10.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(4-chloropyridin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=CN=C(C=C2)Br

DOS

IR

Vibrations