Geometry & MOs

Info

ID:	395929
PubChem CID:	135026936
Reduced:	INOC21H24 (1)
Stoich.:	ABCD21E24 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	8.14
Dipole, Da:	3.87
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-ethoxy-6-oxo-3-phenyloctanoate

Drug info:

PubChemData

Smile

CCCCN(C1=C(C=C(C=C1I)C)C)C(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations