Geometry & MOs

Info

ID:

228034

PubChem CID:

87563256

Reduced:

O4F6N8H32C35 (1)

Stoich.:

A4B6C8D32E35 (1)

Weight, g/mol:

363.121906

ΔHf, kcal/mol:

-302.06

Dipole, Da:

13.21

IP(EA), eV:

 -9.02(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(E)-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C(=NN(C2=O)C)C)O)C3=CC=C(C=C3)C(F)(F)F.CC1=CC(=NN1C2=C(C(=NN(C2=O)C)C)OC)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations