Geometry & MOs

Info

ID:

399832

PubChem CID:

135043022

Reduced:

NC18H18 (1)

Stoich.:

AB18C18 (1)

Weight, g/mol:

205.09636

ΔHf, kcal/mol:

100.19

Dipole, Da:

1.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.925257

Charge, e:

 0

Chem-info

IUPAC name:

(NE)-N-[1,1-di(pyrazol-1-yl)propan-2-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCCCC=[NH+]C2=CC=CC=C2

DOS

IR

Vibrations