Geometry & MOs

Info

ID:	198769
PubChem CID:	79148146
Reduced:	FSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	265.104897
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	4.12
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)SC2=C(C=CC(=C2)F)N

DOS

IR

Vibrations