Geometry & MOs

Info

ID:	405927
PubChem CID:	135076025
Reduced:	IO2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	12.75
Dipole, Da:	3.16
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(1-methylcyclopentyl)oxy-4-nitrobenzene

Drug info:

PubChemData

Smile

COC1=C(C=CC2=CC=CC=C21)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations