Geometry & MOs

Info

ID:	338073
PubChem CID:	127258704
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	1.97
IP(EA), eV:	-9.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations