Geometry & MOs

Info

ID:	312358
PubChem CID:	126604407
Reduced:	NC20H20 (2)
Stoich.:	AB20C20 (2)
Weight, g/mol:	646.273262
ΔH_f, kcal/mol:	140.66
Dipole, Da:	4.42
IP(EA), eV:	-7.73(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazinan-2-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

CCC1=CC2=C(CC1)C3C=CC=CC3N2C4=CC(=C(C=C4)C5=C(C=C(C=C5)N6C7C=CC=CC7C8=C6CCC=C8)C)C

DOS

IR

Vibrations