Geometry & MOs

Info

ID:	323473
PubChem CID:	126674924
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	422.293328
ΔH_f, kcal/mol:	5.84
Dipole, Da:	3.41
IP(EA), eV:	-8.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]propan-2-yl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC(=C(N=C3)N)C(=O)N

DOS

IR

Vibrations