Geometry & MOs

Info

ID:	145234
PubChem CID:	53483319
Reduced:	ClN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	316.053404
ΔH_f, kcal/mol:	50.92
Dipole, Da:	3.32
IP(EA), eV:	-8.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2-chloro-6-methylquinolin-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)Cl)CNC3=CC=CC=C3C

DOS

IR

Vibrations