Geometry & MOs

Info

ID:	322925
PubChem CID:	126671588
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	4.51
Dipole, Da:	2.47
IP(EA), eV:	-8.62(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(cyclopentyloxymethyl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]phenol

Drug info:

PubChemData

Smile

C1CCC(C1)OCC2=CC=C(C=C2)C3=CN(N=C3)C4CCNCC4

DOS

IR

Vibrations