Geometry & MOs

Info

ID:	265727
PubChem CID:	103542924
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-59.56
Dipole, Da:	2.16
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6-amino-1,3-benzodioxole-5-carbonyl)-ethylamino]acetate

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN(C)C(=O)C2=CC3=C(C=C2N)OCO3

DOS

IR

Vibrations