Geometry & MOs

Info

ID:	287434
PubChem CID:	104242196
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-45.04
Dipole, Da:	2.84
IP(EA), eV:	-10.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(oxolan-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CCC(C1)C(CCC2=CC=NC=C2)O

DOS

IR

Vibrations