Geometry & MOs

Info

ID:	172674
PubChem CID:	75539659
Reduced:	BrNSO2C9H16 (1)
Stoich.:	ABCD2E9F16 (1)
Weight, g/mol:	280.99122
ΔH_f, kcal/mol:	-79.86
Dipole, Da:	4.69
IP(EA), eV:	-9.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)N2CCC(CC2)CBr

DOS

IR

Vibrations