Geometry & MOs

Info

ID:	322847
PubChem CID:	126671451
Reduced:	N2O3H16C23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	382.242042
ΔH_f, kcal/mol:	9.46
Dipole, Da:	2.5
IP(EA), eV:	-8.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-fluorophenyl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C21)C3=CC4=C(C=C3)OC(O4)C5=CC6=NC=NC=C6C=C5

DOS

IR

Vibrations