Geometry & MOs

Info

ID:	248689
PubChem CID:	103083641
Reduced:	BrN3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	294.96665
ΔH_f, kcal/mol:	30.34
Dipole, Da:	3.15
IP(EA), eV:	-8.78(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanone

Drug info:

PubChemData

Smile

CCCNC(CC1=C(N=CC=C1)N)C2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations