Geometry & MOs

Info

ID:	54530
PubChem CID:	17388841
Reduced:	BrN2O4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	458.197235
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	1.89
IP(EA), eV:	-8.77(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine;oxalic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

DOS

IR

Vibrations