Geometry & MOs

Info

ID:	54529
PubChem CID:	17388833
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	462.11542
ΔH_f, kcal/mol:	-126.57
Dipole, Da:	1.77
IP(EA), eV:	-8.99(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C)CCC2=CC=CC=N2.C(=O)(C(=O)O)O

DOS

IR

Vibrations