Geometry & MOs

Info

ID:	323394
PubChem CID:	126674683
Reduced:	FO2N6C35H39 (1)
Stoich.:	AB2C6D35E39 (1)
Weight, g/mol:	408.277678
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	5.14
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCC[C@@H]3NC(=O)C4=C(N=CC(=C4)C5=CN=C(C=C5)F)N)N6CCNCC6

DOS

IR

Vibrations