Geometry & MOs

Info

ID:

376264

PubChem CID:

134222274

Reduced:

NH15C26 (2)

Stoich.:

AB15C26 (2)

Weight, g/mol:

662.247047

ΔHf, kcal/mol:

250.04

Dipole, Da:

1.89

IP(EA), eV:

 -8.07(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)N9C1=CC=CC=C1C1=CC=CC=C1C1=CC=CC8=C19)C1=CC=CC=C15

DOS

IR

Vibrations