Geometry & MOs

Info

ID:

121114

PubChem CID:

50756407

Reduced:

N3O5C27H33 (1)

Stoich.:

A3B5C27D33 (1)

Weight, g/mol:

479.242021

ΔHf, kcal/mol:

-143.23

Dipole, Da:

7.52

IP(EA), eV:

 -8.57(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-10-[2-(2,5-dimethoxyphenyl)ethyl]-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

CC1(CN2C3=C(C=C2C(=O)N1CCC4=C(C=C(C=C4)OC)OC)OC=C3)C(=O)NC5CCCCC5

DOS

IR

Vibrations