Geometry & MOs

Info

ID:

377607

PubChem CID:

134223669

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

223.11

Dipole, Da:

1.38

IP(EA), eV:

 -7.69(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=CC=C1)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations