Geometry & MOs

Info

ID:

188207

PubChem CID:

77681248

Reduced:

FO2Cl3N4C35H50 (1)

Stoich.:

AB2C3D4E35F50 (1)

Weight, g/mol:

574.368305

ΔHf, kcal/mol:

-217.02

Dipole, Da:

6.91

IP(EA), eV:

 -9.12(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[[4-(4-benzyl-2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CN1C2CCN(CC2)CC3CC(CC3C4=CC(=CC=C4)F)N(C)C(C(C)C)C(=O)O)CC5=CC=CC=C5.Cl.Cl.Cl

DOS

IR

Vibrations