Geometry & MOs

Info

ID:	398278
PubChem CID:	135032654
Reduced:	OSC16H20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	3.71
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-7-cyano-2-methylhept-2-enyl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCC1=CC(=O)C2=CC=CC=C2S1

DOS

IR

Vibrations