Geometry & MOs

Info

ID:	182054
PubChem CID:	76834041
Reduced:	NO5C29H37 (1)
Stoich.:	AB5C29D37 (1)
Weight, g/mol:	326.128487
ΔH_f, kcal/mol:	-209.6
Dipole, Da:	5.36
IP(EA), eV:	-9.08(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-chloro-2-[1-(oxiran-2-ylmethoxy)propyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1CCC(=O)OC)OCC2CN(C(=O)O2)C(C)(C)CC3CC4=CC=CC=C4C3

DOS

IR

Vibrations