Geometry & MOs

Info

ID:	209120
PubChem CID:	80627179
Reduced:	NSC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	2.57
IP(EA), eV:	-8.17(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-quinolin-2-yl-1-(thian-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(C1CCCCS1)C(C)CC

DOS

IR

Vibrations