Geometry & MOs

Info

ID:	442788
PubChem CID:	135256201
Reduced:	ClF3O4N9H27C31 (1)
Stoich.:	AB3C4D9E27F31 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-140.56
Dipole, Da:	8.85
IP(EA), eV:	-9.49(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-6,8-dimethyl-1,2,3,4-tetrahydro-1,5-naphthyridine

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC3=C(C(=C2)C4=C(C=NN4C)NC1=O)OCCO3)N5C=NC(=CC5=O)C6=C(C=CC(=C6)Cl)N7C=C(N=N7)C(F)(F)F

DOS

IR

Vibrations