Geometry & MOs

Info

ID:	144944
PubChem CID:	53435187
Reduced:	BN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	157.086469
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	3.18
IP(EA), eV:	-9.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-ethyl-4-methyl-3-oxopentanoate

Drug info:

PubChemData

Smile

B(C1=CC(=C(C=C1)C2=NOC=N2)C)(O)O

DOS

IR

Vibrations