Geometry & MOs

Info

ID:	224746
PubChem CID:	85349193
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	27.02
Dipole, Da:	3.29
IP(EA), eV:	-9.37(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4a,8-dimethyl-4,7-dioxo-2,3,5,6-tetrahydro-1H-naphthalen-2-yl)prop-2-enal

Drug info:

PubChemData

Smile

CCC=CCCCC1N(O1)C(C)C2=CC=CC=C2

DOS

IR

Vibrations