Geometry & MOs

Info

ID:	255173
PubChem CID:	103130525
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	2.94
Dipole, Da:	5.38
IP(EA), eV:	-9.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CC3CCC2C3

DOS

IR

Vibrations