Geometry & MOs

Info

ID:	429703
PubChem CID:	135169754
Reduced:	ClN6C11H11 (1)
Stoich.:	AB6C11D11 (1)
Weight, g/mol:	565.19026
ΔH_f, kcal/mol:	107.62
Dipole, Da:	5.12
IP(EA), eV:	-8.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CNC1=CC(=C(N=C1)N=NC2=C(N=CC=C2)N)Cl

DOS

IR

Vibrations