Geometry & MOs

Info

ID:	420224
PubChem CID:	135111940
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	5.53
IP(EA), eV:	-9.27(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-pyrazin-2-ylphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CC(=O)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations