Geometry & MOs

Info

ID:	189624
PubChem CID:	77882595
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	408.214803
ΔH_f, kcal/mol:	-190.99
Dipole, Da:	6.92
IP(EA), eV:	-9.45(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[6-(3-hydroxyoct-1-enyl)-2,4-dioxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]hept-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations