Geometry & MOs

Info

ID:	254250
PubChem CID:	103123703
Reduced:	NOH3C5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	275.117095
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	9.47
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)indazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC4=C(O3)C=CC(=C4)C(=O)O

DOS

IR

Vibrations