Geometry & MOs

Info

ID:	373653
PubChem CID:	131318300
Reduced:	FSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	253.02146
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	3.31
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylpyrazol-3-yl)-2-cyclopropylacetonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC2=C1C(=CS2)F)C=O

DOS

IR

Vibrations