Geometry & MOs

Info

ID:	12651
PubChem CID:	142677
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-60.95
Dipole, Da:	7.64
IP(EA), eV:	-9.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-octoxybenzene

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations