Geometry & MOs

Info

ID:

121129

PubChem CID:

50756760

Reduced:

N3O4C28H35 (1)

Stoich.:

A3B4C28D35 (1)

Weight, g/mol:

447.252192

ΔHf, kcal/mol:

-111.59

Dipole, Da:

4.11

IP(EA), eV:

 -8.66(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-10-(3,4-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CN2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCCC5C)C=CO4

DOS

IR

Vibrations