Geometry & MOs

Info

ID:	255158
PubChem CID:	103130425
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	250.057612
ΔH_f, kcal/mol:	27.53
Dipole, Da:	5.93
IP(EA), eV:	-8.96(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCC3=CC=CC=C23

DOS

IR

Vibrations