Geometry & MOs

Info

ID:	128151
PubChem CID:	51032927
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	274.076057
ΔH_f, kcal/mol:	62.19
Dipole, Da:	4.74
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-1-hydroxy-4-phenylbutan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CN=C(N2)SCCCN

DOS

IR

Vibrations