Geometry & MOs

Info

ID:	232422
PubChem CID:	87576157
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	112.016044
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	6.09
IP(EA), eV:	-8.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl prop-2-ynoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations