Geometry & MOs

Info

ID:	201151
PubChem CID:	79495985
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	3.95
IP(EA), eV:	-8.5(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butan-2-ylpyrazol-3-yl)-1,1-diethoxypropan-2-one

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC=C1OC)C(OCC)OCC

DOS

IR

Vibrations