Geometry & MOs

Info

ID:	253142
PubChem CID:	103116284
Reduced:	ClON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	265.117489
ΔH_f, kcal/mol:	38.34
Dipole, Da:	3.17
IP(EA), eV:	-8.14(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2-methylpropyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)NC3=CC(=C(C=C3)N)Cl

DOS

IR

Vibrations