Geometry & MOs

Info

ID:	287388
PubChem CID:	104239725
Reduced:	ClON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	294.093519
ΔH_f, kcal/mol:	-5.18
Dipole, Da:	3.13
IP(EA), eV:	-9.46(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-cyclopentyl-1-(3-fluorophenyl)pyrazol-4-yl]methanol

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NN(C(=C2CO)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations