Geometry & MOs

Info

ID:	128266
PubChem CID:	51036952
Reduced:	ON5H19C23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	80.14
Dipole, Da:	3.02
IP(EA), eV:	-8.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(1-oxo-2,3-dihydroinden-5-yl)-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=CN(C2=O)C)C3=NC=CC(=C3)C4=CN=C5C(=C4)C=CN5

DOS

IR

Vibrations