Geometry & MOs

Info

ID:	255648
PubChem CID:	103133746
Reduced:	ClSF2O4C12H13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	294.00039
ΔH_f, kcal/mol:	-247.72
Dipole, Da:	9.87
IP(EA), eV:	-10.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-methoxyphenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C(=C(C=C2)S(=O)(=O)Cl)F)F

DOS

IR

Vibrations