Geometry & MOs

Info

ID:	285403
PubChem CID:	104104220
Reduced:	FNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	3.56
IP(EA), eV:	-8.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)C2=CC3=C(C=CC=C3S2)F

DOS

IR

Vibrations