Geometry & MOs

Info

ID:	287513
PubChem CID:	104245654
Reduced:	ClN4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	299.118925
ΔH_f, kcal/mol:	114.71
Dipole, Da:	1.65
IP(EA), eV:	-9.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NN(C(=C2C#N)Cl)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations