Geometry & MOs

Info

ID:	151384
PubChem CID:	53801173
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	1.14
Dipole, Da:	2.58
IP(EA), eV:	-8.21(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-3-enyl-5-hydroxy-3-[(1S)-1-phenylpropyl]pyran-2-one

Drug info:

PubChemData

Smile

CCCCCC1CNC2=CC=CC=C2N1

DOS

IR

Vibrations