Geometry & MOs

Info

ID:	35881
PubChem CID:	7980441
Reduced:	NO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	3.08
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations