Geometry & MOs

Info

ID:	323643
PubChem CID:	126675642
Reduced:	FO2N3H12C14 (2)
Stoich.:	AB2C3D12E14 (2)
Weight, g/mol:	420.277678
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	7.49
IP(EA), eV:	-9.37(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)N6C=NNC6=O

DOS

IR

Vibrations