Geometry & MOs

Info

ID:	285435
PubChem CID:	104104477
Reduced:	NSF2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-129.25
Dipole, Da:	5.62
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylpyrazol-3-yl)-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CCSC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations