Geometry & MOs

Info

ID:	253026
PubChem CID:	103115563
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	289.063346
ΔH_f, kcal/mol:	-10.36
Dipole, Da:	9.31
IP(EA), eV:	-9.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylimidazol-4-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=C(N=NN2C3CCCCC3)C(=O)O

DOS

IR

Vibrations