Geometry & MOs

Info

ID:	432712
PubChem CID:	135172849
Reduced:	F3O8C39H49 (1)
Stoich.:	A3B8C39D49 (1)
Weight, g/mol:	178.121846
ΔH_f, kcal/mol:	-481.64
Dipole, Da:	4.22
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-8-methyl-6,7-dihydro-5H-1,8-naphthyridine-2,6-diamine

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C2=CC=C(C=C2)C3CCC(CC3)C4CCC(CC4)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations