Geometry & MOs

Info

ID:	227698
PubChem CID:	87562253
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	423.244126
ΔH_f, kcal/mol:	9.07
Dipole, Da:	5.16
IP(EA), eV:	-9.09(-1.16)
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;hydrochloride

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=N1)C2=CC=C(C=C2)C#CC3=CN=CC=C3)C(=O)NO

DOS

IR

Vibrations