Geometry & MOs

Info

ID:	338074
PubChem CID:	127258705
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	3.36
IP(EA), eV:	-10.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-2-prop-2-ynoxyiminoethyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=N/OCC#C

DOS

IR

Vibrations