Geometry & MOs

Info

ID:

221115

PubChem CID:

85256872

Reduced:

O2N5C13H22 (1)

Stoich.:

A2B5C13D22 (1)

Weight, g/mol:

279.071785

ΔHf, kcal/mol:

-61.36

Dipole, Da:

4.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.836543

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-phenylsulfanylnaphthalen-1-yl)methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CCCCCC[N+]1=C(N=C2C1C(=O)N(C(=O)N2C)C)N

DOS

IR

Vibrations