Geometry & MOs

Info

ID:	54778
PubChem CID:	17389252
Reduced:	FN2H19C23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	310.100354
ΔH_f, kcal/mol:	37.93
Dipole, Da:	3.48
IP(EA), eV:	-8.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2,6-diethynyl-1-methylpiperazine;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(N=C(N2)C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations