Geometry & MOs

Info

ID:	277670
PubChem CID:	103830279
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	19.68
Dipole, Da:	3.8
IP(EA), eV:	-9.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-propoxyethanone

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=CC=C2)C(=O)C3=CC(=NC=C3)Br

DOS

IR

Vibrations