Geometry & MOs

Info

ID:	45839
PubChem CID:	10518090
Reduced:	BrO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	297.075882
ΔH_f, kcal/mol:	-78.98
Dipole, Da:	2.15
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C2=CC=CC=C21)OC)Br)CO

DOS

IR

Vibrations