Geometry & MOs

Info

ID:	231024
PubChem CID:	87572477
Reduced:	N2C11H21 (1)
Stoich.:	A2B11C21 (1)
Weight, g/mol:	573.96487
ΔH_f, kcal/mol:	2.27
Dipole, Da:	2.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772564
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,5,5,6,6,7,7-nonafluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCC(C)N1C=C[N+](=C1)CC(C)C

DOS

IR

Vibrations