Geometry & MOs

Info

ID:	145105
PubChem CID:	53462466
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	314.115424
ΔH_f, kcal/mol:	-83.29
Dipole, Da:	2.53
IP(EA), eV:	-9.35(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] acetate

Drug info:

PubChemData

Smile

CCCCCC12CCCC(N1)CC(=O)C2

DOS

IR

Vibrations