Geometry & MOs

Info

ID:	349024
PubChem CID:	127274750
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	25.36
Dipole, Da:	3.38
IP(EA), eV:	-8.76(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations