Geometry & MOs

Info

ID:	373850
PubChem CID:	131320639
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	4.89
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-amino-4H-1,3-benzodioxine-6-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC(=CC(=C1)N)C(=O)OC)C(=O)N

DOS

IR

Vibrations