Geometry & MOs

Info

ID:	54531
PubChem CID:	17388842
Reduced:	ClN2O4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	458.197235
ΔH_f, kcal/mol:	-138.65
Dipole, Da:	3.33
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine;oxalic acid

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4Cl.C(=O)(C(=O)O)O

DOS

IR

Vibrations