Geometry & MOs

Info

ID:	373360
PubChem CID:	131314108
Reduced:	ClIOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	194.049843
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	2.71
IP(EA), eV:	-9.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-8-methyl-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2CC1=O)Cl)I

DOS

IR

Vibrations