Geometry & MOs

Info

ID:

68011

PubChem CID:

46507601

Reduced:

F3N4O4H29C30 (1)

Stoich.:

A3B4C4D29E30 (1)

Weight, g/mol:

457.200156

ΔHf, kcal/mol:

-249.72

Dipole, Da:

7.36

IP(EA), eV:

 -8.68(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-3-(6-methoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)benzamide

Drug info:

PubChemData

Smile

CC12CC(C3=C(O1)C(=CC=C3)OC)NC(=O)N2C4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=CC(=C6)C(F)(F)F

DOS

IR

Vibrations