Geometry & MOs

Info

ID:	157578
PubChem CID:	56435816
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	411.288577
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	6.51
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C(C)(C)C

DOS

IR

Vibrations