Geometry & MOs

Info

ID:	287373
PubChem CID:	104239497
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	5.75
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopentyl-2-(3,5-dimethylphenyl)-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations