Geometry & MOs

Info

ID:

121132

PubChem CID:

50756770

Reduced:

N3O3C26H31 (1)

Stoich.:

A3B3C26D31 (1)

Weight, g/mol:

400.247441

ΔHf, kcal/mol:

-70.97

Dipole, Da:

4.45

IP(EA), eV:

 -8.78(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2(CN3C4=C(C=C3C(=O)N2CC5=CC=C(C=C5)C)OC=C4)C

DOS

IR

Vibrations