Geometry & MOs

Info

ID:	172229
PubChem CID:	75482266
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	296.081719
ΔH_f, kcal/mol:	74.01
Dipole, Da:	8.96
IP(EA), eV:	-9.23(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)/C=C/C2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations