Geometry & MOs

Info

ID:	258961
PubChem CID:	103157559
Reduced:	O2N3C10H19 (1)
Stoich.:	A2B3C10D19 (1)
Weight, g/mol:	311.02694
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	1.58
IP(EA), eV:	-9.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CC(CN)OC

DOS

IR

Vibrations