Geometry & MOs

Info

ID:	319549
PubChem CID:	126656605
Reduced:	BrClOH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	841.378061
ΔH_f, kcal/mol:	2.47
Dipole, Da:	2.33
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[9-(cyclohexen-1-yl)carbazol-3-yl]-12-[4-methyl-4-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1H-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C[C@@H]1C(C2=C(C=C1Cl)C3=CC=CC=C3O2)Br

DOS

IR

Vibrations