Geometry & MOs

Info

ID:	429572
PubChem CID:	135169621
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	641.221561
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	6.4
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C=NC1=CC=CC2=C1C=CC=N2

DOS

IR

Vibrations