Geometry & MOs

Info

ID:	245713
PubChem CID:	103023073
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-143.95
Dipole, Da:	3.65
IP(EA), eV:	-9.8(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CCCCC(CC)CC(=O)CC(C)(C)OC

DOS

IR

Vibrations