Geometry & MOs

Info

ID:	413981
PubChem CID:	135086934
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	300.11503
ΔH_f, kcal/mol:	24.48
Dipole, Da:	4.75
IP(EA), eV:	-9.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(naphthalene-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(=O)C#CC#CC(C)(C)OCC1=CC=CC=C1

DOS

IR

Vibrations