Geometry & MOs

Info

ID:

133564

PubChem CID:

51552353

Reduced:

FO4N5H24C26 (1)

Stoich.:

AB4C5D24E26 (1)

Weight, g/mol:

468.252526

ΔHf, kcal/mol:

-12.4

Dipole, Da:

7.67

IP(EA), eV:

 -8.5(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S)-2-(4-tert-butylphenyl)-N-[(E)-[3-[(3,4-dimethylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylideneamino]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/NC(=O)C2=CC(=CC=C2)F)/C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations