Geometry & MOs

Info

ID:	323246
PubChem CID:	126673772
Reduced:	Br2N2O5C10H10 (1)
Stoich.:	A2B2C5D10E10 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-109.75
Dipole, Da:	3.09
IP(EA), eV:	-9.99(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methoxy-2-methyl-2-pyrazol-1-ylpropanoate

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)O)OC1=CC(=CC(=C1Br)[N+](=O)[O-])Br

DOS

IR

Vibrations