Geometry & MOs

Info

ID:	214001
PubChem CID:	81065691
Reduced:	NSO4C11H23 (1)
Stoich.:	ABC4D11E23 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-209.75
Dipole, Da:	4.57
IP(EA), eV:	-10.0(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)CCC(C)C

DOS

IR

Vibrations