Geometry & MOs

Info

ID:	287607
PubChem CID:	104248594
Reduced:	N3O3C9H17 (1)
Stoich.:	A3B3C9D17 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	4.71
IP(EA), eV:	-9.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline

Drug info:

PubChemData

Smile

CC(CC1=NOC(=N1)C(COC)N)OC

DOS

IR

Vibrations