Geometry & MOs

Info

ID:

385677

PubChem CID:

134979720

Reduced:

O4C13H22 (1)

Stoich.:

A4B13C22 (1)

Weight, g/mol:

366.157957

ΔHf, kcal/mol:

-216.69

Dipole, Da:

1.43

IP(EA), eV:

-9.91(1.59)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (1'R,2'S,3S,5'S,6'R,8'R,11'S)-2'-ethenyl-2-oxospiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-4'-carboxylate

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)C2C[C@@H]3[C@H](C2)OC(O3)(C)C)C

DOS

IR

Vibrations