Geometry & MOs

Info

ID:	259551
PubChem CID:	103167886
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	284.129156
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	5.48
IP(EA), eV:	-9.3(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-dimethylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)CC(=O)CC2CCC2

DOS

IR

Vibrations