Geometry & MOs

Info

ID:	146954
PubChem CID:	53776773
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	4.32
IP(EA), eV:	-9.55(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethyl-3-oxodecanoate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1C(=O)O)C(=O)N

DOS

IR

Vibrations