Geometry & MOs

Info

ID:	250527
PubChem CID:	103097299
Reduced:	BrOSN2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	53.84
Dipole, Da:	3.14
IP(EA), eV:	-9.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=CC=C(O2)Br

DOS

IR

Vibrations