Geometry & MOs

Info

ID:	400018
PubChem CID:	135044539
Reduced:	OCl2N2H6C15 (1)
Stoich.:	AB2C2D6E15 (1)
Weight, g/mol:	198.107606
ΔH_f, kcal/mol:	70.86
Dipole, Da:	5.91
IP(EA), eV:	-10.1(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-trimethylsilylbut-3-yn-2-yl) acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(=O)C2=C(C=C(C=C2)Cl)Cl)C#N)C#N

DOS

IR

Vibrations