Geometry & MOs

Info

ID:	252950
PubChem CID:	103115108
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	289.092337
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	9.18
IP(EA), eV:	-9.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)CCN1C(=C(N=N1)C(=O)O)C2=CN(N=C2)C

DOS

IR

Vibrations