Geometry & MOs

Info

ID:

307229

PubChem CID:

125292621

Reduced:

O2N3C16H17 (1)

Stoich.:

A2B3C16D17 (1)

Weight, g/mol:

481.379404

ΔHf, kcal/mol:

-15.75

Dipole, Da:

4.71

IP(EA), eV:

 -9.01(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1S,9R,10S,12S,13R,14R,15R,16S,17R,18R)-13-ethyl-8-methyl-15-undecyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

Drug info:

PubChemData

Smile

CN1C(=O)C[C@H](C1=O)N2CCC3=C4C=CC=CC4=N[C@H]3C2

DOS

IR

Vibrations