Geometry & MOs

Info

ID:	296638
PubChem CID:	117586718
Reduced:	FOSN4C11H13 (1)
Stoich.:	ABCD4E11F13 (1)
Weight, g/mol:	297.98878
ΔH_f, kcal/mol:	2.01
Dipole, Da:	8.88
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromo-2-methylphenyl)ethyl]thiatriazol-5-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC2=NN=NS2)F

DOS

IR

Vibrations