Geometry & MOs

Info

ID:	281948
PubChem CID:	103914589
Reduced:	ON2F3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	243.104148
ΔH_f, kcal/mol:	-207.42
Dipole, Da:	3.74
IP(EA), eV:	-9.33(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[1-(1H-pyrazol-4-yl)ethyl]thian-3-amine

Drug info:

PubChemData

Smile

C=CCCOCCNC1CCN(CC1)CC(F)(F)F

DOS

IR

Vibrations