Geometry & MOs

Info

ID:	52641
PubChem CID:	12015598
Reduced:	OSC12H12 (1)
Stoich.:	ABC12D12 (1)
Weight, g/mol:	128.065972
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	2.98
IP(EA), eV:	-8.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-methylsulfanylbut-1-yne

Drug info:

PubChemData

Smile

CSC1=C(CCC1=O)C2=CC=CC=C2

DOS

IR

Vibrations