Geometry & MOs

Info

ID:	209669
PubChem CID:	80701644
Reduced:	NOF3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-162.41
Dipole, Da:	2.58
IP(EA), eV:	-9.23(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzofuran-3-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CO2)CNCCC(F)(F)F

DOS

IR

Vibrations