Geometry & MOs

Info

ID:	34108
PubChem CID:	7889849
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	331.069202
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	8.02
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl 2-(2-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)COC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations