Geometry & MOs

Info

ID:	84387
PubChem CID:	49866139
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	456.142032
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	4.27
IP(EA), eV:	-8.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-7-(oxan-2-yloxy)chromen-4-one

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](C3=CC=CC=C3CN2)C4=CC(=C(C=C4O1)O)O

DOS

IR

Vibrations