Geometry & MOs

Info

ID:	201656
PubChem CID:	79566614
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	202.102751
ΔH_f, kcal/mol:	-76.02
Dipole, Da:	1.24
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentylsulfanyl-3-ethoxypropan-2-one

Drug info:

PubChemData

Smile

CCOCC(=O)C1=C(C=C(C=C1)Cl)N

DOS

IR

Vibrations