Geometry & MOs

Info

ID:	126897
PubChem CID:	50983338
Reduced:	FNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	1.97
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(8-methoxyquinolin-5-yl)methyl-methylamino]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)O)C(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations