Geometry & MOs

Info

ID:

88561

PubChem CID:

49955422

Reduced:

NCl2O2C15H18 (1)

Stoich.:

AB2C2D15E18 (1)

Weight, g/mol:

439.142947

ΔHf, kcal/mol:

-32.14

Dipole, Da:

2.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750155

Charge, e:

 -2

Chem-info

IUPAC name:

1-[4-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]piperazin-1-yl]ethanone;dichloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(O2)CNCC(C)O)Cl.[Cl-]

DOS

IR

Vibrations