Geometry & MOs

Info

ID:	209294
PubChem CID:	80649037
Reduced:	SN2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	49.41
Dipole, Da:	1.74
IP(EA), eV:	-7.88(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol

Drug info:

PubChemData

Smile

C1CNC2=C1C=CC=C2CNCCSC3=CC=CC=C3

DOS

IR

Vibrations