Geometry & MOs

Info

ID:	202025
PubChem CID:	79619453
Reduced:	NOF2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	2.07
IP(EA), eV:	-9.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CC(CC(C1)OC2=CC(=CC(=C2)F)F)N

DOS

IR

Vibrations