Geometry & MOs

Info

ID:	13983
PubChem CID:	401309
Reduced:	N2O2C12H21 (2)
Stoich.:	A2B2C12D21 (2)
Weight, g/mol:	450.320606
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	1.77
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCCO)CC2=CC=C(C=C2)CN3CCN(CC3)CCOCCO

DOS

IR

Vibrations