Geometry & MOs

Info

ID:

124924

PubChem CID:

50903891

Reduced:

N2O2C15H15 (2)

Stoich.:

A2B2C15D15 (2)

Weight, g/mol:

482.244367

ΔHf, kcal/mol:

-108.42

Dipole, Da:

5.21

IP(EA), eV:

 -8.92(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1R,9S)-11-[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-oxoethyl]-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@@]2(C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)CN4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5

DOS

IR

Vibrations