Geometry & MOs

Info

ID:	251599
PubChem CID:	103105195
Reduced:	SN3O4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-142.57
Dipole, Da:	2.37
IP(EA), eV:	-10.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-propan-2-yl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCS(=O)(=O)CC)C(C)C

DOS

IR

Vibrations