Geometry & MOs

Info

ID:	323260
PubChem CID:	126673860
Reduced:	BrN3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	422.178299
ΔH_f, kcal/mol:	-39.41
Dipole, Da:	4.75
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9H-carbazol-2-yl)-9-cyclohepta-1,3,6-trien-1-ylcarbazole

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NNC2=C3C(=O)CCCOC3=CC(=C2)Br

DOS

IR

Vibrations