Geometry & MOs

Info

ID:	253573
PubChem CID:	103119332
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-13.51
Dipole, Da:	0.36
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)-3-(3-methylthiophen-2-yl)propane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)CC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations