Geometry & MOs

Info

ID:

12911

PubChem CID:

148262

Reduced:

NO4H20C21 (1)

Stoich.:

AB4C20D21 (1)

Weight, g/mol:

350.139233

ΔHf, kcal/mol:

-80.07

Dipole, Da:

1.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.786197

Charge, e:

 1

Chem-info

IUPAC name:

16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

Drug info:

PubChemData

Smile

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC5=C(C=C4CC3)OCO5)OC)OC

DOS

IR

Vibrations