Geometry & MOs

Info

ID:	329548
PubChem CID:	126738009
Reduced:	PN2O3C39H79 (1)
Stoich.:	AB2C3D39E79 (1)
Weight, g/mol:	505.18305
ΔH_f, kcal/mol:	-320.6
Dipole, Da:	1.51
IP(EA), eV:	-9.11(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[25-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene-3,9'-fluorene]

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCCOP(=O)(OCCCCCCCC/C=C/CCCCCCCC)NCCNC

DOS

IR

Vibrations