Geometry & MOs

Info

ID:	23938
PubChem CID:	607170
Reduced:	N2O5C10H10 (1)
Stoich.:	A2B5C10D10 (1)
Weight, g/mol:	238.058971
ΔH_f, kcal/mol:	-109.56
Dipole, Da:	4.02
IP(EA), eV:	-9.13(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCO2

DOS

IR

Vibrations