Geometry & MOs

Info

ID:	311045
PubChem CID:	126588927
Reduced:	FNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-122.61
Dipole, Da:	3.74
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2N(C(=O)OC)O)C3CC3)F

DOS

IR

Vibrations