Geometry & MOs

Info

ID:	143869
PubChem CID:	53273336
Reduced:	BrSN2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-18.71
Dipole, Da:	1.72
IP(EA), eV:	-8.3(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-N-[[5-(6-methylpyridin-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCC2=NC=C(S2)C3=CC=C(O3)Br)OC

DOS

IR

Vibrations