Geometry & MOs

Info

ID:	392318
PubChem CID:	135014465
Reduced:	NOC10H20 (1)
Stoich.:	ABC10D20 (1)
Weight, g/mol:	354.167853
ΔH_f, kcal/mol:	-9.2
Dipole, Da:	8.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777030
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4S,6R,6aR)-2,2-dimethyl-4-pent-4-enoyloxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl pent-4-enoate

Drug info:

PubChemData

Smile

CCOC(=C)C(=C)C(C)C(C)[NH3+]

DOS

IR

Vibrations