Geometry & MOs

Info

ID:	348160
PubChem CID:	127273222
Reduced:	OSN5C19H31 (1)
Stoich.:	ABC5D19E31 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-36.44
Dipole, Da:	6.23
IP(EA), eV:	-8.36(0.56)
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-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC(=O)NCC3(CCCC3)N4CCSCC4

DOS

IR

Vibrations