Geometry & MOs

Info

ID:	28366
PubChem CID:	827208
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	3.05
IP(EA), eV:	-7.88(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-(4-cyclopentylphenyl)piperazin-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC[C@@H](CN1CCN(CC1)C2=CC=C(C=C2)C3CCCC3)O

DOS

IR

Vibrations