Geometry & MOs

Info

ID:	15499
PubChem CID:	442721
Reduced:	O5C24H38 (1)
Stoich.:	A5B24C38 (1)
Weight, g/mol:	406.271924
ΔH_f, kcal/mol:	-231.76
Dipole, Da:	3.72
IP(EA), eV:	-10.09(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C

DOS

IR

Vibrations