Geometry & MOs

Info

ID:	149499
PubChem CID:	53789172
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	384.193674
ΔH_f, kcal/mol:	-115.41
Dipole, Da:	1.25
IP(EA), eV:	-8.44(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(1-methoxy-1-oxoheptan-2-yl)phenoxy]benzoate

Drug info:

PubChemData

Smile

CC1C(C(OC(=C1C)C)(C)OC)C

DOS

IR

Vibrations