Geometry & MOs

Info

ID:	263199
PubChem CID:	103345386
Reduced:	S2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	318.122441
ΔH_f, kcal/mol:	6.41
Dipole, Da:	4.3
IP(EA), eV:	-8.79(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-1,4-dithian-2-yl)-2-quinolin-4-ylethanamine

Drug info:

PubChemData

Smile

CCN1C=CN=C1C(C2CSC(C(S2)C)C)N

DOS

IR

Vibrations