Geometry & MOs

Info

ID:	35878
PubChem CID:	7980438
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-161.27
Dipole, Da:	6.71
IP(EA), eV:	-9.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NCC(=O)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations