Geometry & MOs

Info

ID:	345597
PubChem CID:	127269897
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	5.46
IP(EA), eV:	-8.63(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4CCN5C4CCCC5

DOS

IR

Vibrations