Geometry & MOs

Info

ID:	222407
PubChem CID:	85300613
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	319.1606
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	5.01
IP(EA), eV:	-8.66(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylphenyl)sulfonyl-5-propyl-1,2,3,7,8,8a-hexahydroindolizine

Drug info:

PubChemData

Smile

C1CCC2(CC3CCC4N3C(=NC5(C4)CCCCO5)N2)OCC1

DOS

IR

Vibrations