Geometry & MOs

Info

ID:	28316
PubChem CID:	826993
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	-13.42
Dipole, Da:	2.48
IP(EA), eV:	-8.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone

Drug info:

PubChemData

Smile

CN(C)CCN(C)CC1=CC=CC=C1SC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations