Geometry & MOs

Info

ID:	323391
PubChem CID:	126674679
Reduced:	F3O4N5C26H26 (1)
Stoich.:	A3B4C5D26E26 (1)
Weight, g/mol:	378.267114
ΔH_f, kcal/mol:	-221.93
Dipole, Da:	5.63
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-1,2-dimethylpiperazine

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3COC3)OC4=NC(=NC=C4)C5=CN=CC=C5

DOS

IR

Vibrations