Geometry & MOs

Info

ID:	287380
PubChem CID:	104239631
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	5.17
IP(EA), eV:	-9.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NN(C(=C2C=O)Cl)C3CCCC3

DOS

IR

Vibrations