Geometry & MOs

Info

ID:	179090
PubChem CID:	76432366
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	366.210742
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	5.92
IP(EA), eV:	-8.46(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-6-[(2-methylphenyl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CC(CNC1)COC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations