Geometry & MOs

Info

ID:	262384
PubChem CID:	103289646
Reduced:	ClNSO2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	314.064447
ΔH_f, kcal/mol:	-68.16
Dipole, Da:	5.43
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine

Drug info:

PubChemData

Smile

CC(CCSCC1=CC=CC=C1Cl)(C(=O)O)NC2CC2

DOS

IR

Vibrations