Geometry & MOs

Info

ID:

88594

PubChem CID:

49955638

Reduced:

ClO2N4C17H24 (1)

Stoich.:

AB2C4D17E24 (1)

Weight, g/mol:

258.126082

ΔHf, kcal/mol:

-37.68

Dipole, Da:

6.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750035

Charge, e:

 -1

Chem-info

IUPAC name:

2-[4-(butylaminomethyl)phenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CNCCCN3CCCC3=O)N(C1=O)C.[Cl-]

DOS

IR

Vibrations