Geometry & MOs

Info

ID:	259187
PubChem CID:	103158524
Reduced:	N2O5C12H22 (1)
Stoich.:	A2B5C12D22 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-239.62
Dipole, Da:	10.42
IP(EA), eV:	-9.81(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclopentyl-2-hydroxypropoxy)-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)N1CCC(CC1)CO

DOS

IR

Vibrations