Geometry & MOs

Info

ID:	26191
PubChem CID:	640688
Reduced:	OC11H12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	3.64
IP(EA), eV:	-9.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=CC=CC=C2C1=O

DOS

IR

Vibrations