Geometry & MOs

Info

ID:	427519
PubChem CID:	135159506
Reduced:	N2O2H38C47 (1)
Stoich.:	A2B2C38D47 (1)
Weight, g/mol:	656.246378
ΔH_f, kcal/mol:	113.78
Dipole, Da:	3.4
IP(EA), eV:	-7.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-cyclohexa-1,3-dien-1-yl-3-[3'-(1H-pyrrol-2-yl)-9,9'-spirobi[xanthene]-3-yl]carbazole

Drug info:

PubChemData

Smile

C1CC2=C(C(=C1)C3=CC4=C(CC3)OC5=C(C46C7CC=CC=C7OC8=CC=CC=C68)C=CC(C5)C9=CC=CN9)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations