Geometry & MOs

Info

ID:	295630
PubChem CID:	117539854
Reduced:	ClOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	310.01393
ΔH_f, kcal/mol:	-1.41
Dipole, Da:	2.48
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-bromophenyl)ethyl]-N,4-dimethyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CCC2=CSC(=N2)N

DOS

IR

Vibrations