Geometry & MOs

Info

ID:	294058
PubChem CID:	117425573
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	268.123008
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	6.08
IP(EA), eV:	-8.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1CC2(CC2)N)Cl)OC

DOS

IR

Vibrations