Geometry & MOs

Info

ID:	31289
PubChem CID:	855533
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	296.108026
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	5.55
IP(EA), eV:	-8.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

COC1=CC2=NC(=C(C=C2C=C1)C#N)SCCN3CCOCC3

DOS

IR

Vibrations