Geometry & MOs

Info

ID:	279771
PubChem CID:	103845117
Reduced:	ClFNSC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	2.14
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrazol-3-yl)methyl]thiolan-3-amine

Drug info:

PubChemData

Smile

C1CSCC1NCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations