Geometry & MOs

Info

ID:	131976
PubChem CID:	51285880
Reduced:	ClSN2O3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-117.21
Dipole, Da:	0.82
IP(EA), eV:	-9.45(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azocan-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCCCCCC2

DOS

IR

Vibrations