Geometry & MOs

Info

ID:	372631
PubChem CID:	131301165
Reduced:	NSO2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	224.99016
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	3.16
IP(EA), eV:	-9.33(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-cyclobutylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=C(S2)CO)CC#N)C=O

DOS

IR

Vibrations