Geometry & MOs

Info

ID:

166410

PubChem CID:

74685625

Reduced:

NO2C13H20 (1)

Stoich.:

AB2C13D20 (1)

Weight, g/mol:

166.103203

ΔHf, kcal/mol:

-47.88

Dipole, Da:

4.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.037373

Charge, e:

 1

Chem-info

IUPAC name:

[cyclopropyl-(4-fluorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2CCCC[NH2+]2

DOS

IR

Vibrations