Geometry & MOs

Info

ID:	53205
PubChem CID:	14709770
Reduced:	ClO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	338.151809
ΔH_f, kcal/mol:	-122.5
Dipole, Da:	2.92
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-acetyloxy-3-methyl-4-[(2E)-4-methylpenta-2,4-dienyl]naphthalen-2-yl] acetate

Drug info:

PubChemData

Smile

C/C(=C/C=C)/CC1=C(C(=C(C2=CC=CC=C21)OC(=O)C)OC(=O)C)Cl

DOS

IR

Vibrations