Geometry & MOs

Info

ID:	125016
PubChem CID:	50907372
Reduced:	FNO4C26H32 (1)
Stoich.:	ABC4D26E32 (1)
Weight, g/mol:	572.296283
ΔH_f, kcal/mol:	-196.89
Dipole, Da:	2.83
IP(EA), eV:	-9.51(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-ylphenyl)-5,7-difluoro-3-methylquinolin-4-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC2=C(N=C1C(C(=O)OCC)F)OC3=CC=CC=C3C2=O

DOS

IR

Vibrations