Geometry & MOs

Info

ID:	253114
PubChem CID:	103116122
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	289.092337
ΔH_f, kcal/mol:	29.82
Dipole, Da:	5.27
IP(EA), eV:	-7.83(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylimidazol-2-yl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCSC3=C2C=C(C=C3)N

DOS

IR

Vibrations