Geometry & MOs

Info

ID:

226451

PubChem CID:

87357379

Reduced:

NP2O5C21H47 (1)

Stoich.:

AB2C5D21E47 (1)

Weight, g/mol:

759.203354

ΔHf, kcal/mol:

-297.26

Dipole, Da:

2.03

IP(EA), eV:

 -7.88(1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[4-[[4-[2-(4-chlorophenoxy)ethyl]phenyl]methyl]piperazin-1-yl]-3-[4-[5-[(2-chlorophenyl)methoxy]pyridin-2-yl]oxy-3-methoxyphenyl]prop-2-enal;hydrochloride

Drug info:

PubChemData

Smile

CCC(OCC)(OCC)PC(C)N(C(C)OC)C(C)PC(CC)(OCC)OCC

DOS

IR

Vibrations