Geometry & MOs

Info

ID:	250509
PubChem CID:	103097197
Reduced:	SN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	270.11907
ΔH_f, kcal/mol:	56.04
Dipole, Da:	3.46
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CSC(=N2)C(C)(C)C#N)C

DOS

IR

Vibrations