Geometry & MOs

Info

ID:

391163

PubChem CID:

135003262

Reduced:

WN2Cl3O6H13C16 (1)

Stoich.:

AB2C3D6E13F16 (1)

Weight, g/mol:

333.172879

ΔHf, kcal/mol:

26.64

Dipole, Da:

6.43

IP(EA), eV:

 -6.34(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,10R,12R,16R)-10-methoxy-8-methyl-9-phenyl-13-oxa-8-azatetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6-tetraene

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NC=C1C(=[W])OC)C(Cl)(Cl)Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations