Geometry & MOs

Info

ID:	23259
PubChem CID:	602940
Reduced:	O3C12H19 (2)
Stoich.:	A3B12C19 (2)
Weight, g/mol:	422.266839
ΔH_f, kcal/mol:	-257.2
Dipole, Da:	2.11
IP(EA), eV:	-9.15(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 15-(4,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecanoate

Drug info:

PubChemData

Smile

COC1=C(C(=O)C(=CC1=O)CCCCCCCCCCCCCCC(=O)OC)OC

DOS

IR

Vibrations