Geometry & MOs

Info

ID:	277986
PubChem CID:	103832449
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	1.7
IP(EA), eV:	-8.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(1R)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]phenol

Drug info:

PubChemData

Smile

CCC[C@H](C1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)N

DOS

IR

Vibrations