Geometry & MOs

Info

ID:	386240
PubChem CID:	134981143
Reduced:	ClINZnH5C9 (1)
Stoich.:	ABCDE5F9 (1)
Weight, g/mol:	130.081622
ΔH_f, kcal/mol:	37.92
Dipole, Da:	0.8
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3-dimethyl-1-methylsulfanylbut-1-ene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C[C-]=N2)Cl.[Zn+]I

DOS

IR

Vibrations