Geometry & MOs

Info

ID:	413379
PubChem CID:	135086328
Reduced:	NO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	348.05048
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	2.05
IP(EA), eV:	-9.56(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OCC(NC(=O)OCC1=CC=CC=C1)OC

DOS

IR

Vibrations