Geometry & MOs

Info

ID:	382565
PubChem CID:	134973809
Reduced:	OSN4C22H28 (1)
Stoich.:	ABC4D22E28 (1)
Weight, g/mol:	210.113018
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	5.35
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(1R)-1,2-dihydroxyethyl]-1,2,3,4-tetrahydroquinolin-4-yl]oxidanium

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)NC(=O)[C@@H]2CCCN2)NC(=S)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations