Geometry & MOs

Info

ID:	242571
PubChem CID:	97857409
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-38.63
Dipole, Da:	5.71
IP(EA), eV:	-8.38(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)OC)NC2=CC3=C(CNC3=O)C=C2

DOS

IR

Vibrations