Geometry & MOs

Info

ID:	16408
PubChem CID:	467243
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-117.13
Dipole, Da:	3.91
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[4-(2-hydroxyphenyl)butyl]chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCCCC2=C(OC3=CC=CC=C3C2=O)O)O

DOS

IR

Vibrations