Geometry & MOs

Info

ID:	287518
PubChem CID:	104245681
Reduced:	ClN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	301.09819
ΔH_f, kcal/mol:	29.82
Dipole, Da:	5.75
IP(EA), eV:	-9.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclopentyl-1-(4-methoxyphenyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=C(C(=N2)C3CCCC3)C#N)Cl

DOS

IR

Vibrations