Geometry & MOs

Info

ID:	430454
PubChem CID:	135170518
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	172.076726
ΔH_f, kcal/mol:	-134.24
Dipole, Da:	3.03
IP(EA), eV:	-9.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloropropan-2-yl)-1,3-dimethylpyrazole

Drug info:

PubChemData

Smile

CC1=CC(N(C1=O)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations