Geometry & MOs

Info

ID:

121116

PubChem CID:

50756433

Reduced:

NOC8H9 (3)

Stoich.:

ABC8D9 (3)

Weight, g/mol:

468.310041

ΔHf, kcal/mol:

-56.0

Dipole, Da:

4.93

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCCC5)C=CO4

DOS

IR

Vibrations