Geometry & MOs

Info

ID:	245830
PubChem CID:	103024137
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-27.43
Dipole, Da:	3.58
IP(EA), eV:	-8.87(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C1CCCNC1)C(=O)CCC2=CC=NN2C

DOS

IR

Vibrations