Geometry & MOs

Info

ID:	287512
PubChem CID:	104245604
Reduced:	OS2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	296.082874
ΔH_f, kcal/mol:	-3.82
Dipole, Da:	2.82
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(4-cyanophenyl)-3-cyclopentylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1C(SCCS1)C2=NOC(=N2)CC(C3CCCC3)NC

DOS

IR

Vibrations