Geometry & MOs

Info

ID:	265739
PubChem CID:	103543557
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	251.079373
ΔH_f, kcal/mol:	-160.88
Dipole, Da:	1.14
IP(EA), eV:	-8.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-3-yl 6-amino-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCCOC(=O)C1=CC2=C(C=C1N)OCO2

DOS

IR

Vibrations