Geometry & MOs

Info

ID:	449629
PubChem CID:	135300150
Reduced:	O2N7C36H45 (1)
Stoich.:	A2B7C36D45 (1)
Weight, g/mol:	354.07316
ΔH_f, kcal/mol:	50.28
Dipole, Da:	2.18
IP(EA), eV:	-8.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(2-ethyl-5-methylphenyl)-2-methylquinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=C(C=C4C(=C3OC5CCC5)N=C(N=C4N6CCC7(CC6)CNC7)OC8CCN(CC8)C)C9CC9

DOS

IR

Vibrations