Geometry & MOs

Info

ID:	441293
PubChem CID:	135233990
Reduced:	OS2N6C19H24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	719.304896
ΔH_f, kcal/mol:	51.89
Dipole, Da:	3.41
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenyl-4,4a-dihydrocarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

CN=C(NC(=O)CC1=CC=CC=N1)SC(=C)[C@H]2CCCC(C2)C3=NN=C(S3)N

DOS

IR

Vibrations