Geometry & MOs

Info

ID:	135616
PubChem CID:	51902558
Reduced:	ON4C22H34 (1)
Stoich.:	AB4C22D34 (1)
Weight, g/mol:	360.098918
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	2.76
IP(EA), eV:	-8.58(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]amino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CCN([C@@H](C2)CCO)CC3=CC=CC=C3C)C

DOS

IR

Vibrations