Geometry & MOs

Info

ID:	306327
PubChem CID:	125003768
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	30.92
Dipole, Da:	0.23
IP(EA), eV:	-8.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CNC2=NC=CC(=C2)C3=C(NN=C3)[C@H]4CCN(C4)C

DOS

IR

Vibrations