Geometry & MOs

Info

ID:	253758
PubChem CID:	103120429
Reduced:	ON5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	256.107259
ΔH_f, kcal/mol:	96.65
Dipole, Da:	6.46
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=NO2)C3=CC=CC=C3N

DOS

IR

Vibrations