Geometry & MOs

Info

ID:	265730
PubChem CID:	103543150
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	1.92
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN(C)C(=O)C2=CC3=C(C=C2N)OCO3

DOS

IR

Vibrations