Geometry & MOs

Info

ID:

324998

PubChem CID:

126679131

Reduced:

ON2H22C36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

252.04

Dipole, Da:

0.63

IP(EA), eV:

 -7.87(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=C(N5C7=CC=CC=C7)C8=C(C=C6)OC9=CC=CC=C98

DOS

IR

Vibrations