Geometry & MOs

Info

ID:	322848
PubChem CID:	126671452
Reduced:	FON2C24H31 (1)
Stoich.:	ABC2D24E31 (1)
Weight, g/mol:	398.212491
ΔH_f, kcal/mol:	-58.79
Dipole, Da:	2.19
IP(EA), eV:	-8.31(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations