Geometry & MOs

Info

ID:	441790
PubChem CID:	135244711
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	756.44435
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	3.59
IP(EA), eV:	-8.1(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(2-ethylhexyl)-2-N,7-N,7-N-triphenylfluorene-2,7-diamine

Drug info:

PubChemData

Smile

CCCC(CCC)NC(=O)C1C(C2=C(C=C1C)OCO2)C

DOS

IR

Vibrations