Geometry & MOs

Info

ID:	341362
PubChem CID:	127264055
Reduced:	ClN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	354.134635
ΔH_f, kcal/mol:	-31.73
Dipole, Da:	1.16
IP(EA), eV:	-9.98(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-tert-butyl 2-O-ethyl 4-chloro-6-methyl-6,8-dihydro-5H-1,7-naphthyridine-2,7-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=C(C=CN=C2)C(=C1)Cl

DOS

IR

Vibrations