Geometry & MOs

Info

ID:

314398

PubChem CID:

126621749

Reduced:

N2O2H36C59 (1)

Stoich.:

A2B2C36D59 (1)

Weight, g/mol:

713.246713

ΔHf, kcal/mol:

182.78

Dipole, Da:

0.89

IP(EA), eV:

 -7.94(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[1-(3,5-diphenylphenyl)benzo[f]quinazolin-3-yl]-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)N3C4=CC=CC=C4C5=C3C=C6C(=C5)C=CC7=C6OC8=CC=CC=C78)C9=C1C=C(C=C9)N1C2=CC=CC=C2C2=C1C=C1C(=C2)C=CC2=C1OC1=CC=CC=C21)C

DOS

IR

Vibrations