Geometry & MOs

Info

ID:	449148
PubChem CID:	135296371
Reduced:	ClFN3O5H45C47 (1)
Stoich.:	ABC3D5E45F47 (1)
Weight, g/mol:	292.287849
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	3.59
IP(EA), eV:	-8.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethynyl-1-(4,4,8,8-tetramethylnonan-2-yl)piperazine

Drug info:

PubChemData

Smile

C1CCOC(C1)N2C(=O)C(=C(C=N2)OC3=CN=C(C=C3)CCCCOC4=CC=C(C=C4)C5C(CCC6=C5C=CC(=C6)OCC7=CC=CC=C7)C8=CC=C(C=C8)F)Cl

DOS

IR

Vibrations