Geometry & MOs

Info

ID:	259550
PubChem CID:	103167833
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	4.56
IP(EA), eV:	-9.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C2=COC=C2

DOS

IR

Vibrations