Geometry & MOs

Info

ID:	259183
PubChem CID:	103158518
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	4.77
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopentyl-2-hydroxypropoxy)benzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)CC(COC2=CC=CC(=C2)C#N)O

DOS

IR

Vibrations