Geometry & MOs

Info

ID:	275943
PubChem CID:	103819330
Reduced:	BrClN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	294.01162
ΔH_f, kcal/mol:	3.64
Dipole, Da:	4.98
IP(EA), eV:	-9.46(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations