Geometry & MOs

Info

ID:	35726
PubChem CID:	7980248
Reduced:	ClN2O6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	-176.73
Dipole, Da:	5.15
IP(EA), eV:	-9.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations