Geometry & MOs

Info

ID:

223

PubChem CID:

2353

Reduced:

NO4H18C20 (1)

Stoich.:

AB4C18D20 (1)

Weight, g/mol:

336.123583

ΔHf, kcal/mol:

-74.84

Dipole, Da:

1.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.770217

Charge, e:

 1

Chem-info

IUPAC name:

16,17-dimethoxy-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

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC

DOS

IR

Vibrations