Geometry & MOs

Info

ID:	179041
PubChem CID:	76425583
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	17.92
Dipole, Da:	4.1
IP(EA), eV:	-9.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoethyl)-6-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

COC1=NN=C(S1)CN2CC3CC=CCC3C2

DOS

IR

Vibrations