Geometry & MOs

Info

ID:	403138
PubChem CID:	135058919
Reduced:	ClSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-111.95
Dipole, Da:	5.11
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethyl-1H-inden-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/C1=C(C=CC(=C1)Cl)N(C)S(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations