Geometry & MOs

Info

ID:

377215

PubChem CID:

134223256

Reduced:

NH9C13 (4)

Stoich.:

AB9C13 (4)

Weight, g/mol:

716.293997

ΔHf, kcal/mol:

249.13

Dipole, Da:

2.02

IP(EA), eV:

 -7.82(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-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=CC=CC(=C2C3=C1C4=C5C(=CC=CC5=C3)C=CN4C6=CC=CC=C6)C7=CC=CC8=C7C=CC=C8C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations