Geometry & MOs

Info

ID:	255178
PubChem CID:	103130549
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-56.34
Dipole, Da:	4.57
IP(EA), eV:	-9.44(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)C1=NN(C=C1)C)OCC

DOS

IR

Vibrations