Geometry & MOs

Info

ID:	269941
PubChem CID:	103620639
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	13.71
Dipole, Da:	2.62
IP(EA), eV:	-9.32(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNCC2=CC=CO2

DOS

IR

Vibrations