Geometry & MOs

Info

ID:	371769
PubChem CID:	131271593
Reduced:	BrNH12C13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	239.022784
ΔH_f, kcal/mol:	56.37
Dipole, Da:	2.23
IP(EA), eV:	-7.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[3-(trifluoromethyl)-1,2-thiazol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

C=C[C@H](C1=CC=CC2=C1C(=CC=C2)Br)N

DOS

IR

Vibrations