Geometry & MOs

Info

ID:	308935
PubChem CID:	126532156
Reduced:	ON7H19C22 (1)
Stoich.:	AB7C19D22 (1)
Weight, g/mol:	345.98724
ΔH_f, kcal/mol:	131.8
Dipole, Da:	5.2
IP(EA), eV:	-8.83(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromo-3-chloroquinolin-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C=CN=CC5=N4)N=C2

DOS

IR

Vibrations