Geometry & MOs

Info

ID:

43858

PubChem CID:

10321893

Reduced:

F3N4O6H9C20 (1)

Stoich.:

A3B4C6D9E20 (1)

Weight, g/mol:

457.12526

ΔHf, kcal/mol:

-63.9

Dipole, Da:

1.62

IP(EA), eV:

 -10.25(-3.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,12S,14R)-4-benzyl-9-methoxy-4-methyl-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol;bromide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations