Geometry & MOs

Info

ID:

406076

PubChem CID:

135076454

Reduced:

CuOC8H14 (1)

Stoich.:

ABC8D14 (1)

Weight, g/mol:

202.084124

ΔHf, kcal/mol:

13.09

Dipole, Da:

1.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757611

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC[C@H]1CCCC(=C1)O.[Cu]

DOS

IR

Vibrations