Geometry & MOs

Info

ID:	319475
PubChem CID:	126656192
Reduced:	F3N7H20C42 (1)
Stoich.:	A3B7C20D42 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	235.41
Dipole, Da:	7.22
IP(EA), eV:	-9.45(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC\3=C(C(=C(C#N)C#N)C4=C(/C3=C(/C#C)\C#N)N=C(C(=N4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)N=C2C7=CC=C(C=C7)F

DOS

IR

Vibrations