Geometry & MOs

Info

ID:	28141
PubChem CID:	825814
Reduced:	NO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	3.79
IP(EA), eV:	-9.28(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[(2R)-2-(4-methoxyphenoxy)-3-nitropropoxy]benzene

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)O)C(=C1)[N+](=O)[O-]

DOS

IR

Vibrations