Geometry & MOs

Info

ID:	284053
PubChem CID:	104030318
Reduced:	BrN2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	281.97524
ΔH_f, kcal/mol:	31.27
Dipole, Da:	3.23
IP(EA), eV:	-8.66(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-2-(4-nitropyrazol-1-yl)pyridine

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C1=NC=C(C=C1C)Br

DOS

IR

Vibrations