Geometry & MOs

Info

ID:	426420
PubChem CID:	135144049
Reduced:	NO6C26H31 (1)
Stoich.:	AB6C26D31 (1)
Weight, g/mol:	644.257612
ΔH_f, kcal/mol:	-193.17
Dipole, Da:	4.32
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(2-phenylphenyl)-4a,9a-dihydrocarbazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCCN2CCOCC2)C)C3=CC(=O)C4=C(O3)C=C(C=C4OC)OC

DOS

IR

Vibrations