Geometry & MOs

Info

ID:	54954
PubChem CID:	17389587
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	260.057926
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	2.67
IP(EA), eV:	-8.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC2=C1C=C(N2)C(=O)OC

DOS

IR

Vibrations