Geometry & MOs

Info

ID:	201693
PubChem CID:	79569323
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-77.21
Dipole, Da:	1.73
IP(EA), eV:	-9.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-yloxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CCN2CCC3=CC=CC=C3C2=O

DOS

IR

Vibrations