Geometry & MOs

Info

ID:

149774

PubChem CID:

53789450

Reduced:

ClO2N5C17H23 (1)

Stoich.:

AB2C5D17E23 (1)

Weight, g/mol:

120.089878

ΔHf, kcal/mol:

-32.4

Dipole, Da:

6.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763345

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-aminooxybutan-1-ol

Drug info:

PubChemData

Smile

CC1CCCC2N1CCC(C2)NC(=O)C3=CC(=C(C=C3O)N[N+]#N)Cl

DOS

IR

Vibrations