Geometry & MOs

Info

ID:	3018
PubChem CID:	9052
Reduced:	NO6H15C19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	353.089937
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	7.69
IP(EA), eV:	-9.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one

Drug info:

PubChemData

Smile

CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O

DOS

IR

Vibrations