Geometry & MOs

Info

ID:	58772
PubChem CID:	24714843
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	2.16
IP(EA), eV:	-8.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

COCCNCC1=CSC(=N1)COC2=CC=C(C=C2)OC

DOS

IR

Vibrations