Geometry & MOs

Info

ID:

325029

PubChem CID:

126679311

Reduced:

ON5H35C51 (1)

Stoich.:

AB5C35D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

226.21

Dipole, Da:

3.06

IP(EA), eV:

 -8.01(-0.88)

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-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C7=C5C8=C(C=C7)OC9=CC=CC=C98)C1=C(C=C6)N(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations