Geometry & MOs

Info

ID:	335079
PubChem CID:	127253885
Reduced:	NO2C9H9 (3)
Stoich.:	AB2C9D9 (3)
Weight, g/mol:	354.073953
ΔH_f, kcal/mol:	-173.23
Dipole, Da:	4.34
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)furo[2,3-f][1,3]benzodioxol-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)C)O

DOS

IR

Vibrations