Geometry & MOs

Info

ID:	54560
PubChem CID:	17388895
Reduced:	N2O3C32H34 (1)
Stoich.:	A2B3C32D34 (1)
Weight, g/mol:	466.165935
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	3.3
IP(EA), eV:	-8.22(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OCC5=CC=CC=C5

DOS

IR

Vibrations