Geometry & MOs

Info

ID:

324615

PubChem CID:

126677998

Reduced:

ON2H38C59 (1)

Stoich.:

AB2C38D59 (1)

Weight, g/mol:

729.252861

ΔHf, kcal/mol:

212.47

Dipole, Da:

2.3

IP(EA), eV:

 -7.95(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)C3=CC=CC=C3C4=C2C=CC(=C4)C5=CC=C(C=C5)N6C7=C(C8=CC=CC=C86)C9=C(C=C7)C1=C(N9C2=CC3=CC=CC=C3C=C2)C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations