Geometry & MOs

Info

ID:	18572
PubChem CID:	543038
Reduced:	O2C7H10 (1)
Stoich.:	A2B7C10 (1)
Weight, g/mol:	126.06808
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	2.23
IP(EA), eV:	-10.94(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl prop-2-ynoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations