Geometry & MOs

Info

ID:	430985
PubChem CID:	135171055
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	3.66
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCCOC1)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations