Geometry & MOs

Info

ID:	8575
PubChem CID:	79251
Reduced:	ClOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	180.034193
ΔH_f, kcal/mol:	-37.4
Dipole, Da:	1.39
IP(EA), eV:	-9.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-methyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)CCC2=O

DOS

IR

Vibrations