Geometry & MOs

Info

ID:	49162
PubChem CID:	11528776
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	3.64
IP(EA), eV:	-8.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-2-(4-hydroxybutoxy)ethenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

C/C=C/C(=O)[C@@H](C)[C@@H](C1=CC=C(C=C1)OC)O

DOS

IR

Vibrations