Geometry & MOs

Info

ID:	427005
PubChem CID:	135154980
Reduced:	SCl2O2N4H14C17 (1)
Stoich.:	AB2C2D4E14F17 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	4.86
IP(EA), eV:	-9.12(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1H-1,6-naphthyridine-2,5-dione

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N2C(=NC3=C(C2=O)SC=C3)C4=CN=CC=C4.Cl.Cl

DOS

IR

Vibrations