Geometry & MOs

Info

ID:	175
PubChem CID:	2236
Reduced:	NO7H11C17 (1)
Stoich.:	AB7C11D17 (1)
Weight, g/mol:	341.053552
ΔH_f, kcal/mol:	-128.28
Dipole, Da:	11.39
IP(EA), eV:	-9.1(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

DOS

IR

Vibrations