Geometry & MOs

Info

ID:	287374
PubChem CID:	104239501
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	286.06808
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	3.08
IP(EA), eV:	-8.56(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-butyl-5-cyclopentyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)CC(=N2)C3CCCC3)C

DOS

IR

Vibrations