Geometry & MOs

Info

ID:	281950
PubChem CID:	103914591
Reduced:	SO2N3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	5.7
IP(EA), eV:	-9.26(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NC(C)C1=CNN=C1

DOS

IR

Vibrations