Geometry & MOs

Info

ID:	287516
PubChem CID:	104245663
Reduced:	ClN4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	291.150225
ΔH_f, kcal/mol:	48.42
Dipole, Da:	5.5
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-cycloheptyl-3-cyclopentylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CCN1C(=C(C(=N1)C2CCCC2)C#N)Cl

DOS

IR

Vibrations