Geometry & MOs

Info

ID:	269942
PubChem CID:	103620640
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	171.100777
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	2.56
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations