Geometry & MOs

Info

ID:

176240

PubChem CID:

76016639

Reduced:

NO5C12H19 (1)

Stoich.:

AB5C12D19 (1)

Weight, g/mol:

746.330227

ΔHf, kcal/mol:

-220.19

Dipole, Da:

2.4

IP(EA), eV:

-9.67(-0.63)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1'-[[3-[(2,2-dimethylspiro[1,3-dioxolane-4,3'-3a,5,10,11a-tetrahydro-1H-furo[3,4-c][2,5]benzodioxocine]-1'-yl)methoxymethyl]phenyl]methoxymethyl]-2,2-dimethylspiro[1,3-dioxolane-4,3'-3a,5,10,11a-tetrahydro-1H-furo[3,4-c][2,5]benzodioxocine]

Drug info:

PubChemData

Smile

CCOC(=O)C=C1C(OC2C1OC(O2)(C)C)CN

DOS

IR

Vibrations