Geometry & MOs

Info

ID:	299904
PubChem CID:	117923075
Reduced:	SO3N6C16H18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	465.289246
ΔH_f, kcal/mol:	6.01
Dipole, Da:	6.75
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[methyl(pyridin-4-yl)amino]phenyl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(SN=N1)OC(=O)NC2=CC(=C(C=C2)OCCN)C3=CC=NN3C

DOS

IR

Vibrations