Geometry & MOs

Info

ID:	373806
PubChem CID:	131320230
Reduced:	BrSF3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	240.98507
ΔH_f, kcal/mol:	-114.85
Dipole, Da:	2.39
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(S2)CBr)C(=C1C(F)F)F

DOS

IR

Vibrations