Geometry & MOs

Info

ID:	57055
PubChem CID:	22395275
Reduced:	O3C17H19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	215.210996
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	7.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.270266
Charge, e:	0

Chem-info

IUPAC name:

2,3-dipropylpiperazine-1,2,3-triamine

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=CC=CC=C2C(=C1O)C(=O)[O-]

DOS

IR

Vibrations