Geometry & MOs

Info

ID:

189929

PubChem CID:

77924605

Reduced:

FN2O8C29H29 (1)

Stoich.:

AB2C8D29E29 (1)

Weight, g/mol:

354.145381

ΔHf, kcal/mol:

-308.26

Dipole, Da:

7.67

IP(EA), eV:

 -9.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

8-(4-methoxyphenyl)-5,10,10-trimethyl-12-oxa-3,5-diaza-9-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,7-triene-4,6-dione

Drug info:

PubChemData

Smile

CN(C)C1C(C(C2C(=CC3=CC=C(C=C3)CF)C4=C(C(=CC=C4)O)C(=C2C(=O)CC(=O)C(=C1O)C(=O)N)O)O)O

DOS

IR

Vibrations