Geometry & MOs

Info

ID:

169081

PubChem CID:

75061295

Reduced:

O32C63H102 (1)

Stoich.:

A32B63C102 (1)

Weight, g/mol:

349.111253

ΔHf, kcal/mol:

-1501.15

Dipole, Da:

5.77

IP(EA), eV:

 -9.88(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine;hydrochloride

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C9(CC(C(C(C9C(CC8(C7(CC6O)C)C)O)(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)(C)C)O)O)C)OC1C(C(CO1)(CO)O)O)O)O)O

DOS

IR

Vibrations