Geometry & MOs

Info

ID:	53204
PubChem CID:	14709764
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	358.097187
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	3.07
IP(EA), eV:	-8.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C2=CC=CC=C2C(=C1)C/C=C/C=C)OC(=O)C

DOS

IR

Vibrations