Geometry & MOs

Info

ID:

334179

PubChem CID:

127252731

Reduced:

N2O7C21H22 (1)

Stoich.:

A2B7C21D22 (1)

Weight, g/mol:

494.147786

ΔHf, kcal/mol:

-217.55

Dipole, Da:

4.73

IP(EA), eV:

 -8.71(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16,17-dimethoxy-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations