Geometry & MOs

Info

ID:	146023
PubChem CID:	53624635
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	271.189592
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	2.63
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=CC=C2CNC(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations