Geometry & MOs

Info

ID:	190111
PubChem CID:	77955026
Reduced:	F2N3O4C29H41 (1)
Stoich.:	A2B3C4D29E41 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-281.56
Dipole, Da:	5.39
IP(EA), eV:	-9.46(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-2-phenylhex-2-enyl)piperazine

Drug info:

PubChemData

Smile

CCCC(C(C(CC1=CC(=CC(=C1)F)F)NC(=O)C2=CC(=CC(=C2)C)C(=O)N(CCC)CCC)O)NCO

DOS

IR

Vibrations