Geometry & MOs

Info

ID:	53207
PubChem CID:	14709776
Reduced:	O3C11H11 (2)
Stoich.:	A3B11C11 (2)
Weight, g/mol:	324.136159
ΔH_f, kcal/mol:	-193.84
Dipole, Da:	4.58
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyloxy-3-methyl-4-penta-1,4-dien-3-ylnaphthalen-2-yl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations