Geometry & MOs

Info

ID:	287376
PubChem CID:	104239522
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	286.06808
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	2.88
IP(EA), eV:	-9.1(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-butan-2-yl-5-cyclopentyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)CC(=N1)C2CCCC2

DOS

IR

Vibrations