Geometry & MOs

Info

ID:	207721
PubChem CID:	80443045
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	228.139326
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	3.63
IP(EA), eV:	-10.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(3-methylbutyl)-3-(2-methylpropyl)pyrazole

Drug info:

PubChemData

Smile

CC(C)CCC1=NOC(=N1)CC(=O)CC(C)C

DOS

IR

Vibrations