Geometry & MOs

Info

ID:	45498
PubChem CID:	10514198
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	1.46
IP(EA), eV:	-8.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-2,3-dimethylnaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)/C(=C/C2=CC=CC=C2)/C)O

DOS

IR

Vibrations