Geometry & MOs

Info

ID:	258953
PubChem CID:	103157531
Reduced:	ClO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	2.58
IP(EA), eV:	-9.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)CC2=CC=C(C=C2)Cl)CN

DOS

IR

Vibrations