Geometry & MOs

Info

ID:

435841

PubChem CID:

135192556

Reduced:

FN2O4H21C23 (1)

Stoich.:

AB2C4D21E23 (1)

Weight, g/mol:

402.247127

ΔHf, kcal/mol:

-170.17

Dipole, Da:

5.25

IP(EA), eV:

 -9.08(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13Z)-13-[(2Z)-3-ethenyl-2-ethylhepta-2,6-dienylidene]-3-fluoro-4,12-dimethyl-12,15-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),9,14-pentaene

Drug info:

PubChemData

Smile

CC1=C(C=C2C3=C1CCCC3=C4CN5C(=CC(=C(C5=O)COC=O)C(C)O)C4=N2)F

DOS

IR

Vibrations