Geometry & MOs

Info

ID:	287526
PubChem CID:	104246063
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	4.68
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(2-chlorophenyl)methyl]-5-cyclopentyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations