Geometry & MOs

Info

ID:	242572
PubChem CID:	97857410
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	1.18
Dipole, Da:	4.3
IP(EA), eV:	-8.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(oxan-4-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

Drug info:

PubChemData

Smile

C[C@@H](C1CCOCC1)NC2=CC=CC(=C2)C3=NC=CS3

DOS

IR

Vibrations