Geometry & MOs

Info

ID:	260195
PubChem CID:	103184400
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	258.102272
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	2.93
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC2=NC=C(C(=C2C)[N+](=O)[O-])C)C

DOS

IR

Vibrations