Geometry & MOs

Info

ID:	333934
PubChem CID:	127252486
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	5.5
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aR)-5-(2-methoxyethyl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2(CCNCC2)COC1CC3=CN=CN=C3

DOS

IR

Vibrations