Geometry & MOs

Info

ID:	449681
PubChem CID:	135300612
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	311.1674
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	1.61
IP(EA), eV:	-8.97(2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-buta-1,3-dien-2-yl-1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]carbazole

Drug info:

PubChemData

Smile

CCC12CC(CC(N1C2C)C)C

DOS

IR

Vibrations