Geometry & MOs

Info

ID:	165155
PubChem CID:	74506859
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	366.132805
ΔH_f, kcal/mol:	74.21
Dipole, Da:	3.51
IP(EA), eV:	-9.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-hydroxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1C(CN(C1C2=NC(=NO2)C3=CC=NC=C3)CC4=CC=C(C=C4)C5=CC=CC=N5)O

DOS

IR

Vibrations