Geometry & MOs

Info

ID:	181681
PubChem CID:	76774302
Reduced:	NO5C60H107 (1)
Stoich.:	AB5C60D107 (1)
Weight, g/mol:	344.344301
ΔH_f, kcal/mol:	-323.08
Dipole, Da:	0.94
IP(EA), eV:	-8.73(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylcyclohexylidene)ethyl]-1-(5-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCCCCOCC(CN1CCOCC1)OCCCOCCCOC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C

DOS

IR

Vibrations