Geometry & MOs

Info

ID:	322851
PubChem CID:	126671456
Reduced:	ON3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	378.267114
ΔH_f, kcal/mol:	-2.01
Dipole, Da:	2.25
IP(EA), eV:	-8.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,5-dimethylpiperazine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=NC=C(C=C2)C3=CC=C(C=C3)COC4CCCC4

DOS

IR

Vibrations