Geometry & MOs

Info

ID:	252657
PubChem CID:	103113038
Reduced:	SO3N4C11H20 (1)
Stoich.:	AB3C4D11E20 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	7.16
IP(EA), eV:	-9.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC=C(N1)S(=O)(=O)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations