Geometry & MOs

Info

ID:

435722

PubChem CID:

135192249

Reduced:

N2O3H36C65 (1)

Stoich.:

A2B3C36D65 (1)

Weight, g/mol:

615.242296

ΔHf, kcal/mol:

211.67

Dipole, Da:

2.21

IP(EA), eV:

 -8.26(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene

Drug info:

PubChemData

Smile

C1C2=CC3=CC=CC=C3C=C2C4=C(O1)C(=CC5=CC=CC=C54)C6=NC(=CC(=N6)C7=CC8=CC=CC=C8C9=C7OC1=C9C2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C2=C1OC1=C2C2=CC=CC=C2C=C1

DOS

IR

Vibrations