Geometry & MOs

Info

ID:

319521

PubChem CID:

126656521

Reduced:

ON2H36C54 (1)

Stoich.:

AB2C36D54 (1)

Weight, g/mol:

795.299811

ΔHf, kcal/mol:

212.16

Dipole, Da:

1.4

IP(EA), eV:

 -8.03(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[(4S)-4-methyl-4,6-diphenyl-1H-1,3,5-triazin-2-yl]-14-(9-phenylcarbazol-3-yl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=C7C8=CC=CC=C8N(C7=C9C(=C6)C1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations