Geometry & MOs

Info

ID:	28142
PubChem CID:	825824
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	2.58
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC[C@@H](C[N+](=O)[O-])OC2=CC=C(C=C2)OC

DOS

IR

Vibrations