Geometry & MOs

Info

ID:

189262

PubChem CID:

77835918

Reduced:

NPO8C48H72 (1)

Stoich.:

ABC8D48E72 (1)

Weight, g/mol:

578.208106

ΔHf, kcal/mol:

-394.75

Dipole, Da:

13.66

IP(EA), eV:

 -8.24(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-(2-piperidin-1-ylethyl)amino]propyl]phenoxy]acetate;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC(C)C)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations