Geometry & MOs

Info

ID:	276736
PubChem CID:	103824848
Reduced:	OSN4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	-10.46
Dipole, Da:	3.36
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NC(=O)C2=NC=NN2

DOS

IR

Vibrations