Geometry & MOs

Info

ID:	444962
PubChem CID:	135264055
Reduced:	ClO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	4.49
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-methoxy-3-oxoprop-1-enyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)OC)C3=NC4=C(CCNC4)C=C3)C)N=N1.Cl

DOS

IR

Vibrations