Geometry & MOs

Info

ID:	288524
PubChem CID:	104318592
Reduced:	ClO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-71.57
Dipole, Da:	4.36
IP(EA), eV:	-8.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-hydroxybutylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(CCOC1=CC=C(C2=CC=CC=C21)Cl)O

DOS

IR

Vibrations