Geometry & MOs

Info

ID:	338605
PubChem CID:	127259616
Reduced:	OSH12C15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	38.39
Dipole, Da:	3.88
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-oxohex-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S/C=C/C2=CC=C(C=C2)C=O

DOS

IR

Vibrations