Geometry & MOs

Info

ID:

378636

PubChem CID:

134224730

Reduced:

SN4H22C37 (1)

Stoich.:

AB4C22D37 (1)

Weight, g/mol:

537.220498

ΔHf, kcal/mol:

215.87

Dipole, Da:

2.42

IP(EA), eV:

 -8.29(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16,16-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C=C5C(=C4)C6=CC=CC=C6S5)C7=C3C8=CC=CC=C8C=C7)C9=CC=CC=C9

DOS

IR

Vibrations