Geometry & MOs

Info

ID:

143733

PubChem CID:

53253227

Reduced:

ClO2N3C36H44 (1)

Stoich.:

AB2C3D36E44 (1)

Weight, g/mol:

329.189198

ΔHf, kcal/mol:

-46.21

Dipole, Da:

6.93

IP(EA), eV:

 -8.08(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,12R)-15-methyl-7-[(E)-2-(6-methylpyridin-3-yl)ethenyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

Drug info:

PubChemData

Smile

CC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)NCCN5CCC(CC5)CC6CC7=CC(=C(C=C7C6)OC)OC

DOS

IR

Vibrations