Geometry & MOs

Info

ID:	18125
PubChem CID:	538424
Reduced:	NO7H11C15 (1)
Stoich.:	AB7C11D15 (1)
Weight, g/mol:	317.053552
ΔH_f, kcal/mol:	-167.04
Dipole, Da:	3.27
IP(EA), eV:	-9.81(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]-6-methylpyran-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)O)C(=O)C=CC2=CC(=C(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations