Geometry & MOs

Info

ID:	335193
PubChem CID:	127254054
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	486.095082
ΔH_f, kcal/mol:	3.67
Dipole, Da:	8.79
IP(EA), eV:	-9.89(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[8-(1,3-benzodioxol-5-yl)-5,6-dihydroxy-4-oxo-2-phenylfuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations