Geometry & MOs

Info

ID:

446311

PubChem CID:

135273958

Reduced:

O2N4H22C43 (1)

Stoich.:

A2B4C22D43 (1)

Weight, g/mol:

537.220498

ΔHf, kcal/mol:

184.97

Dipole, Da:

10.2

IP(EA), eV:

 -8.31(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,15-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4,6,8,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=CC=CC8=C(C=CC(=C87)O6)C#N)C9=CC=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations