Geometry & MOs

Info

ID:	216178
PubChem CID:	85085837
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-55.4
Dipole, Da:	6.27
IP(EA), eV:	-9.65(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C(C(=C1C(=O)OC)SC)C#N

DOS

IR

Vibrations