Geometry & MOs

Info

ID:	255177
PubChem CID:	103130547
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	5.88
IP(EA), eV:	-9.19(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=NN(C=C1)C)OC

DOS

IR

Vibrations