Geometry & MOs

Info

ID:

429473

PubChem CID:

135169522

Reduced:

ON5H31C50 (1)

Stoich.:

AB5C31D50 (1)

Weight, g/mol:

716.257612

ΔHf, kcal/mol:

248.3

Dipole, Da:

2.68

IP(EA), eV:

 -8.14(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-11-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC(=CC=C5)N6C7=CC8=CC=CC=C8C=C7C9=C6C1=C(C=C9)N=C(O1)C1=CC=CC=C1

DOS

IR

Vibrations