Geometry & MOs

Info

ID:	171874
PubChem CID:	75436066
Reduced:	FON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	227.109233
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	3.31
IP(EA), eV:	-8.83(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylpyrrolidin-1-yl)-3-(methoxymethyl)-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CNC2=C(C=CN=C2)CO

DOS

IR

Vibrations