Geometry & MOs

Info

ID:	57777
PubChem CID:	24277274
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-71.64
Dipole, Da:	5.19
IP(EA), eV:	-9.76(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=O)N=C(N2)N3C4=C(CCCC4)C(=N3)C(=O)O

DOS

IR

Vibrations