Geometry & MOs

Info

ID:

428026

PubChem CID:

135165783

Reduced:

NH12C15 (2)

Stoich.:

AB12C15 (2)

Weight, g/mol:

586.215747

ΔHf, kcal/mol:

105.7

Dipole, Da:

3.56

IP(EA), eV:

 -7.69(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-14-(4-phenylquinazolin-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

CCN1C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C6=CC=CC=C6C7=CC=CC=C75)CC

DOS

IR

Vibrations