Geometry & MOs

Info

ID:

377205

PubChem CID:

134223245

Reduced:

NH9C13 (4)

Stoich.:

AB9C13 (4)

Weight, g/mol:

666.278347

ΔHf, kcal/mol:

251.03

Dipole, Da:

3.97

IP(EA), eV:

 -7.57(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-19-phenyl-19-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC=CC4=C3C=CC=C4C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=C1C9=C1C(=CC=CC1=C8)C=CN9C1=CC=CC=C1)C

DOS

IR

Vibrations