Geometry & MOs

Info

ID:	287345
PubChem CID:	104238015
Reduced:	ClSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	276.055322
ΔH_f, kcal/mol:	-169.71
Dipole, Da:	2.85
IP(EA), eV:	-9.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OC2CCCC(C2)S(=O)(=O)C)Cl

DOS

IR

Vibrations