Geometry & MOs

Info

ID:	338067
PubChem CID:	127258698
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-176.61
Dipole, Da:	5.04
IP(EA), eV:	-9.51(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-2-methyl-1-(phenylhydrazinylidene)propan-2-yl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=C/1\CCC(=O)N1

DOS

IR

Vibrations