Geometry & MOs

Info

ID:	385950
PubChem CID:	134980387
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-107.5
Dipole, Da:	1.49
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aR,8aS)-4-(methoxymethyl)-3,8,8-trimethyl-5-oxo-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCC/C(=C/C=C/C)/C(=O)OCC

DOS

IR

Vibrations