Geometry & MOs

Info

ID:	163592
PubChem CID:	58063018
Reduced:	FON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	160.052429
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	8.16
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3H-indene-1,2-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C3N=C(C=CN3N=C2)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations