Geometry & MOs

Info

ID:

57042

PubChem CID:

22395258

Reduced:

O4C17H19 (1)

Stoich.:

A4B17C19 (1)

Weight, g/mol:

157.157898

ΔHf, kcal/mol:

-141.21

Dipole, Da:

6.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.390391

Charge, e:

 0

Chem-info

IUPAC name:

1-piperazin-1-ylbutan-1-amine

Drug info:

PubChemData

Smile

CCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])O)O

DOS

IR

Vibrations