Geometry & MOs

Info

ID:	255176
PubChem CID:	103130534
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	0.48
Dipole, Da:	5.54
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CC2=CCCCC2

DOS

IR

Vibrations