Geometry & MOs

Info

ID:	1480
PubChem CID:	4575
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	5.44
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dihydroxy-8-(1-methylpiperidin-2-yl)-2-phenylchromen-5-one

Drug info:

PubChemData

Smile

CN1CCCCC1C2=C3C(=C(C=C(O3)C4=CC=CC=C4)O)C(=O)C=C2O

DOS

IR

Vibrations