Geometry & MOs

Info

ID:	255383
PubChem CID:	103131696
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	2.71
IP(EA), eV:	-9.55(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(1-methylpyrazol-3-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=NN(C=C1)C)C(=O)OCC

DOS

IR

Vibrations