Geometry & MOs

Info

ID:	3645
PubChem CID:	9908
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	280.109944
ΔH_f, kcal/mol:	-68.24
Dipole, Da:	4.69
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(1-phenylpropyl)chromen-4-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O

DOS

IR

Vibrations