Geometry & MOs

Info

ID:

377339

PubChem CID:

134223387

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

176.74

Dipole, Da:

1.68

IP(EA), eV:

 -8.03(-0.89)

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-6-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

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C=CC(=C5)C6=CC7=C(C=C6)N(C8=C7C9=C(C=C8)OC1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations