Geometry & MOs

Info

ID:

436005

PubChem CID:

135193315

Reduced:

N2H21C31 (2)

Stoich.:

A2B21C31 (2)

Weight, g/mol:

561.220498

ΔHf, kcal/mol:

299.92

Dipole, Da:

1.45

IP(EA), eV:

 -8.42(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C6N7C4=NC8=CC=CC=C87)C9=C1C2=CC=CC=C2C(C1=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations