Geometry & MOs

Info

ID:	88691
PubChem CID:	49956093
Reduced:	ClNO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	382.121483
ΔH_f, kcal/mol:	-121.45
Dipole, Da:	1.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129577
Charge, e:	-2

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine;dichloride

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNCCCCO.[Cl-]

DOS

IR

Vibrations