Geometry & MOs

Info

ID:	271723
PubChem CID:	103689590
Reduced:	ClO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	294.01162
ΔH_f, kcal/mol:	7.99
Dipole, Da:	4.25
IP(EA), eV:	-8.75(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations