Geometry & MOs

Info

ID:	206893
PubChem CID:	80320837
Reduced:	SN2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	309.01868
ΔH_f, kcal/mol:	28.22
Dipole, Da:	4.02
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-4-phenylbutyl)-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC2(CCCCC2)C#N

DOS

IR

Vibrations