Geometry & MOs

Info

ID:	227699
PubChem CID:	87562254
Reduced:	ClN3C26H34 (1)
Stoich.:	AB3C26D34 (1)
Weight, g/mol:	387.267448
ΔH_f, kcal/mol:	45.41
Dipole, Da:	2.43
IP(EA), eV:	-8.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-ethynylphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CCC4=CC=C(C=C4)C#C.Cl

DOS

IR

Vibrations