Geometry & MOs

Info

ID:	287379
PubChem CID:	104239627
Reduced:	ClSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-104.42
Dipole, Da:	6.22
IP(EA), eV:	-10.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1,3-dicyclopentylpyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)N2C(=C(C(=N2)C3CCCC3)C=O)Cl

DOS

IR

Vibrations