Geometry & MOs

Info

ID:

436009

PubChem CID:

135193327

Reduced:

N5H27C43 (1)

Stoich.:

A5B27C43 (1)

Weight, g/mol:

435.18821

ΔHf, kcal/mol:

249.57

Dipole, Da:

2.38

IP(EA), eV:

 -8.37(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(8-methyl-10-morpholin-4-yl-2,5-diazatetracyclo[8.1.1.01,9.02,6]dodeca-3,5-dien-4-yl)-3-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C8N9C6=NC1=CC=CC=C19)C=C2

DOS

IR

Vibrations