Geometry & MOs

Info

ID:	349091
PubChem CID:	127274817
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-144.55
Dipole, Da:	3.89
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2CCCNC2=O

DOS

IR

Vibrations