Geometry & MOs

Info

ID:	198011
PubChem CID:	79031822
Reduced:	FN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	296.108026
ΔH_f, kcal/mol:	9.66
Dipole, Da:	1.33
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NCC2=CC(=NC3=CC=CC=C32)C

DOS

IR

Vibrations