Geometry & MOs

Info

ID:	189878
PubChem CID:	77918791
Reduced:	ClN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	6.5
IP(EA), eV:	-9.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1H-imidazol-5-yl)ethyl]-6-[(5-propylfuran-2-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

C1C(CNC(=O)C1Cl)C(=O)N2CC(C3=CC=CC=C3C2)O

DOS

IR

Vibrations