Geometry & MOs

Info

ID:	282134
PubChem CID:	103916649
Reduced:	BrON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	315.99597
ΔH_f, kcal/mol:	28.71
Dipole, Da:	4.05
IP(EA), eV:	-8.51(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(1H-indazol-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=NC(=CC=C3)Br

DOS

IR

Vibrations