Geometry & MOs

Info

ID:	338597
PubChem CID:	127259608
Reduced:	OH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	210.035065
ΔH_f, kcal/mol:	67.31
Dipole, Da:	4.88
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-methylsulfonylethenyl]benzaldehyde

Drug info:

PubChemData

Smile

CCCCC#C/C=C/C#CC1=CC=CC(=C1)C=O

DOS

IR

Vibrations