Geometry & MOs

Info

ID:	287519
PubChem CID:	104245682
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	301.09819
ΔH_f, kcal/mol:	40.33
Dipole, Da:	6.28
IP(EA), eV:	-9.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclopentyl-1-(2-methoxyphenyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=C(C(=N2)C3CCCC3)C#N)Cl

DOS

IR

Vibrations