Geometry & MOs

Info

ID:	217000
PubChem CID:	85087101
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-34.2
Dipole, Da:	2.99
IP(EA), eV:	-8.29(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenoxy)-2-octylthietane

Drug info:

PubChemData

Smile

CN1CC2C(CC3=C(C2C1)C=CC(=C3OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations