Geometry & MOs

Info

ID:	444908
PubChem CID:	135263911
Reduced:	SO3N5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	11.17
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=CSC(=N5)C)C=C3)C)N=N1

DOS

IR

Vibrations