Geometry & MOs

Info

ID:

448818

PubChem CID:

135293791

Reduced:

N3H33C50 (1)

Stoich.:

A3B33C50 (1)

Weight, g/mol:

400.272593

ΔHf, kcal/mol:

241.07

Dipole, Da:

2.36

IP(EA), eV:

 -8.05(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(3S)-2,2-dimethylhexan-3-yl]-N'-[(3,5-dimethylphenyl)-hydroxymethyl]-2,5-dimethylfuran-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4(C5=CC=CC=C5C6=CC=CC(=C64)C7=CC=C(C=C7)C8=NC9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations