Geometry & MOs

Info

ID:

165465

PubChem CID:

74552982

Reduced:

NO2C13H22 (1)

Stoich.:

AB2C13D22 (1)

Weight, g/mol:

100.112624

ΔHf, kcal/mol:

-42.53

Dipole, Da:

2.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767165

Charge, e:

 1

Chem-info

IUPAC name:

2-cyclopropylpropylazanium

Drug info:

PubChemData

Smile

CC(C)C(C[NH3+])C1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations