Geometry & MOs

Info

ID:	278031
PubChem CID:	103832858
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	3.06
IP(EA), eV:	-9.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(1S,2S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC(=NO1)C(C)OCC)N

DOS

IR

Vibrations