Geometry & MOs

Info

ID:	287633
PubChem CID:	104249517
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	3.66
IP(EA), eV:	-9.28(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one

Drug info:

PubChemData

Smile

CC(CC(=O)CCC1=CC=CC=C1)OC

DOS

IR

Vibrations