Geometry & MOs

Info

ID:	427407
PubChem CID:	135158429
Reduced:	OF2N2C13H24 (1)
Stoich.:	AB2C2D13E24 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-197.33
Dipole, Da:	3.89
IP(EA), eV:	-9.46(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1,5-dimethyl-3-(phenoxymethyl)pyrazole

Drug info:

PubChemData

Smile

CCCC(C)(CC)NC(=O)N1CCC(CC1)(F)F

DOS

IR

Vibrations