Geometry & MOs

Info

ID:	430458
PubChem CID:	135170522
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	158.061076
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	4.21
IP(EA), eV:	-9.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloropropan-2-yl)-5-methyl-1H-pyrazole

Drug info:

PubChemData

Smile

CCCC(=O)OC1C(=CC(=O)N1C)C(C)C

DOS

IR

Vibrations