Geometry & MOs

Info

ID:	199858
PubChem CID:	79308050
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	292.074245
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	3.75
IP(EA), eV:	-10.06(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)(C#N)NCC#C

DOS

IR

Vibrations