Geometry & MOs

Info

ID:

428040

PubChem CID:

135165866

Reduced:

N2H17C27 (2)

Stoich.:

A2B17C27 (2)

Weight, g/mol:

738.278347

ΔHf, kcal/mol:

274.96

Dipole, Da:

2.42

IP(EA), eV:

 -7.86(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-phenylphenyl)-9-[4-(3-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=CC=CC=C5C=C4)C6=C3C=CC7=C6C8=CC=CC=C8N7C9=NC1=CC=CC=C1C(=N9)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations