Geometry & MOs

Info

ID:	253032
PubChem CID:	103115622
Reduced:	ON2C4H4 (3)
Stoich.:	AB2C4D4 (3)
Weight, g/mol:	289.092337
ΔH_f, kcal/mol:	22.26
Dipole, Da:	3.48
IP(EA), eV:	-9.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2C(=C(N=N2)C(=O)O)C3=CN=CN3C

DOS

IR

Vibrations