Geometry & MOs

Info

ID:

325033

PubChem CID:

126679319

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

218.91

Dipole, Da:

6.02

IP(EA), eV:

 -7.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-24-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC=C(C=C3)N4C5=C(C=C6C(=C5)C7=CC=CC=C7O6)C8=C4C=C9C(=C8)C1=CC=CC=C1N9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations