Geometry & MOs

Info

ID:	296980
PubChem CID:	117604205
Reduced:	FO2H19C20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	419.210996
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	5.14
IP(EA), eV:	-9.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]methyl]-6-(2-methylpyridin-4-yl)-1H-2,7-naphthyridine

Drug info:

PubChemData

Smile

CC1CC(=CC1(C2=C(C(=CC=C2)F)C)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations