Geometry & MOs

Info

ID:	438177
PubChem CID:	135227806
Reduced:	ON6H40C63 (1)
Stoich.:	AB6C40D63 (1)
Weight, g/mol:	348.118653
ΔH_f, kcal/mol:	304.2
Dipole, Da:	1.38
IP(EA), eV:	-7.58(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(5-fluoropyridin-2-yl)-6-methylquinolin-4-amine

Drug info:

Smile

C1CC2=C(C=C1)N(C3=C4C5=CC=CC=C5N(C4=C6C7=CC=CC=C7N(C6=C23)C8=CC=CC=C8)C9=CC=C(C=C9)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC2=C(C=C1)OC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations