Geometry & MOs

Info

ID:	413086
PubChem CID:	135086030
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-128.62
Dipole, Da:	1.85
IP(EA), eV:	-9.12(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-methyl-6-oxohex-2-enyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CO/C=C/C1CCCCN1C(=O)OC

DOS

IR

Vibrations