Geometry & MOs

Info

ID:	165156
PubChem CID:	74507338
Reduced:	N4O4H18C19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	410.122634
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	4.12
IP(EA), eV:	-10.0(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-hydroxy-2-[3-(3-nitrophenyl)-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)C(=O)O)O

DOS

IR

Vibrations