Geometry & MOs

Info

ID:	7790
PubChem CID:	74144
Reduced:	O2C7H10 (1)
Stoich.:	A2B7C10 (1)
Weight, g/mol:	126.06808
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	1.57
IP(EA), eV:	-10.84(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbut-3-yn-2-yl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)C#C

DOS

IR

Vibrations