Geometry & MOs

Info

ID:

9869

PubChem CID:

94160

Reduced:

N2O4C21H24 (1)

Stoich.:

A2B4C21D24 (1)

Weight, g/mol:

368.173607

ΔHf, kcal/mol:

-139.18

Dipole, Da:

3.37

IP(EA), eV:

 -8.88(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O

DOS

IR

Vibrations