Geometry & MOs

Info

ID:	194452
PubChem CID:	78539251
Reduced:	N2O6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	402.106316
ΔH_f, kcal/mol:	-121.33
Dipole, Da:	11.05
IP(EA), eV:	-9.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations