Geometry & MOs

Info

ID:	150478
PubChem CID:	53790168
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	5.66
IP(EA), eV:	-9.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3-aminopropoxy)phenyl]-2-methylpiperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)C2=CC=CC=C2C(=O)OCC

DOS

IR

Vibrations