Geometry & MOs

Info

ID:	390274
PubChem CID:	134998248
Reduced:	O9C25H36 (1)
Stoich.:	A9B25C36 (1)
Weight, g/mol:	212.214016
ΔH_f, kcal/mol:	-364.26
Dipole, Da:	2.71
IP(EA), eV:	-9.3(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-propylcyclopentyl)methyl]pentan-3-ol

Drug info:

PubChemData

Smile

CC1C(C=CC(O1)OC2C3C(C(OC2OCC4=CC=CC=C4)C)OC(C(O3)(C)OC)(C)OC)O

DOS

IR

Vibrations