Geometry & MOs

Info

ID:	287375
PubChem CID:	104239521
Reduced:	BrON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	6.22
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C(N1)C2CCCC2)Br

DOS

IR

Vibrations