Geometry & MOs

Info

ID:	36117
PubChem CID:	7980784
Reduced:	NO5H19C22 (1)
Stoich.:	AB5C19D22 (1)
Weight, g/mol:	377.126323
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	4.01
IP(EA), eV:	-8.83(-1.14)
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] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations