Geometry & MOs

Info

ID:

328772

PubChem CID:

126727636

Reduced:

NOC7H11 (2)

Stoich.:

ABC7D11 (2)

Weight, g/mol:

493.248918

ΔHf, kcal/mol:

-91.41

Dipole, Da:

4.97

IP(EA), eV:

 -9.18(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-amino-N-[cyclobutylidene-[3-[(Z)-(3-methoxy-4-methylcyclohexa-2,4-dien-1-ylidene)-[(Z)-(methylideneamino)methylideneamino]methoxy]anilino]methyl]-4-fluoropent-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2C(C1)CC2(CC(=O)C)CNC(=O)NC

DOS

IR

Vibrations