Geometry & MOs

Info

ID:	133808
PubChem CID:	51591781
Reduced:	O3N4C21H35 (1)
Stoich.:	A3B4C21D35 (1)
Weight, g/mol:	214.10659
ΔH_f, kcal/mol:	-119.71
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755626
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2R)-2-methoxypropyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CN(C)C(=O)C[NH+]1CCC(CC1)C2=CC(=O)N3CCCCCC3=N2)OC

DOS

IR

Vibrations