Geometry & MOs

Info

ID:	35666
PubChem CID:	7980171
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	5.03
IP(EA), eV:	-8.71(-0.79)
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] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations