Geometry & MOs

Info

ID:	26190
PubChem CID:	640687
Reduced:	OC11H12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	160.088815
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	3.06
IP(EA), eV:	-9.42(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)CCC2=CC=CC=C12

DOS

IR

Vibrations