Geometry & MOs

Info

ID:	404870
PubChem CID:	135071540
Reduced:	O4C9H13 (2)
Stoich.:	A4B9C13 (2)
Weight, g/mol:	384.178418
ΔH_f, kcal/mol:	-277.89
Dipole, Da:	3.52
IP(EA), eV:	-9.92(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-but-3-enyl 3-O-pent-4-ynyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1(C(OC(C(O1)C(=O)OCCC=C)C(=O)OCCC#C)(C)OC)OC

DOS

IR

Vibrations