Geometry & MOs

Info

ID:

146984

PubChem CID:

53776918

Reduced:

O3H32C34 (1)

Stoich.:

A3B32C34 (1)

Weight, g/mol:

439.185569

ΔHf, kcal/mol:

-44.24

Dipole, Da:

2.71

IP(EA), eV:

 -9.4(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,13-dihydroxy-12-(methoxymethyl)-11-(2-pyridin-2-ylethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),7,9,11-tetraen-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

C1C(=O)C(C(=O)OC1(CCC2=CC=CC=C2)CCC3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations