Geometry & MOs

Info

ID:

436359

PubChem CID:

135199339

Reduced:

ON3H33C49 (1)

Stoich.:

AB3C33D49 (1)

Weight, g/mol:

629.246713

ΔHf, kcal/mol:

201.12

Dipole, Da:

4.85

IP(EA), eV:

 -8.36(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(6R)-7-[(3E,5E)-6-(1,10-phenanthrolin-4-yl)hepta-1,3,5-trien-3-yl]-3-bicyclo[4.1.0]hepta-2,4-dienyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C/C=C\1/C2=C(C3=C(C=C2)C(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=NC8=C(C=CC9=C8N=C(C=C9)C2=CC=CC=C2)C=C7)O/C1=C/C

DOS

IR

Vibrations