Geometry & MOs

Info

ID:

419030

PubChem CID:

135107366

Reduced:

O3N4C17H21 (2)

Stoich.:

A3B4C17D21 (2)

Weight, g/mol:

342.157957

ΔHf, kcal/mol:

-174.8

Dipole, Da:

5.79

IP(EA), eV:

 -9.43(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=NC3=CC=CC=C3N=C2)C)CC4=CC=CC=C4

DOS

IR

Vibrations