Geometry & MOs

Info

ID:	166423
PubChem CID:	74688367
Reduced:	O3N5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	318.101585
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	2.76
IP(EA), eV:	-9.98(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-fluorophenyl)-6-hydroxy-6-methyl-3-oxo-5,7-dihydro-2H-indazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(CN1C2C(N=C1N)N(C(=O)NC2=O)C)O

DOS

IR

Vibrations