Geometry & MOs

Info

ID:

237758

PubChem CID:

92721359

Reduced:

ClN3O3C25H28 (1)

Stoich.:

AB3C3D25E28 (1)

Weight, g/mol:

493.257671

ΔHf, kcal/mol:

-67.36

Dipole, Da:

5.05

IP(EA), eV:

 -9.15(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-N-cycloheptyl-10-[2-(3,4-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

C[C@]1(CN2C3=C(C=C2C(=O)N1CC4=CC=C(C=C4)Cl)OC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations