Geometry & MOs

Info

ID:	269338
PubChem CID:	103617032
Reduced:	OSBr2N2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	253.07074
ΔH_f, kcal/mol:	13.58
Dipole, Da:	2.89
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=CC(=C(C(=C2)Br)OC)Br

DOS

IR

Vibrations