Geometry & MOs

Info

ID:	278000
PubChem CID:	103832571
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	2.76
IP(EA), eV:	-8.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=NOC(=N2)[C@H]3CCCN3)OC

DOS

IR

Vibrations