Geometry & MOs

Info

ID:

336140

PubChem CID:

127255147

Reduced:

O4N6C25H28 (1)

Stoich.:

A4B6C25D28 (1)

Weight, g/mol:

475.221954

ΔHf, kcal/mol:

-82.06

Dipole, Da:

0.69

IP(EA), eV:

 -8.92(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]propyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=C(N(N=C3C)C4=CC=CC=N4)C)O

DOS

IR

Vibrations