Geometry & MOs

Info

ID:	353318
PubChem CID:	127284647
Reduced:	SN3O3C15H27 (1)
Stoich.:	AB3C3D15E27 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-145.61
Dipole, Da:	4.87
IP(EA), eV:	-8.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NCCN2CCOCC2C

DOS

IR

Vibrations