Geometry & MOs

Info

ID:

166111

PubChem CID:

74639440

Reduced:

ClFON5H17C23 (1)

Stoich.:

ABCD5E17F23 (1)

Weight, g/mol:

458.162187

ΔHf, kcal/mol:

89.28

Dipole, Da:

4.82

IP(EA), eV:

 -8.76(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-9-(4-propan-2-ylphenyl)-11-pyridin-3-yl-8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,16-pentaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3=C(C4=C(O2)C=CC(=C4)Cl)N=C5NNNN5C3C6=CC=CC=C6F

DOS

IR

Vibrations