Geometry & MOs

Info

ID:	320784
PubChem CID:	126663356
Reduced:	N6H14C15 (1)
Stoich.:	A6B14C15 (1)
Weight, g/mol:	208.128572
ΔH_f, kcal/mol:	137.39
Dipole, Da:	4.27
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3,4,5-trimethylbenzenethiol

Drug info:

PubChemData

Smile

CC(C)(/C=C/C#N)N1C=C(C=N1)C2=C3C=CNC3=NC=N2

DOS

IR

Vibrations