Geometry & MOs

Info

ID:	28365
PubChem CID:	827206
Reduced:	N2O5C11H14 (1)
Stoich.:	A2B5C11D14 (1)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-95.44
Dipole, Da:	2.65
IP(EA), eV:	-9.67(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations