Geometry & MOs

Info

ID:	245816
PubChem CID:	103024060
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	5.38
IP(EA), eV:	-9.31(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-(1-methylpyrazol-4-yl)butan-2-one

Drug info:

PubChemData

Smile

CCC(CC)(CN)C(=O)CCC1=CC=NN1C

DOS

IR

Vibrations