Geometry & MOs

Info

ID:

438724

PubChem CID:

135228477

Reduced:

F3N3O4C25H28 (1)

Stoich.:

A3B3C4D25E28 (1)

Weight, g/mol:

488.376664

ΔHf, kcal/mol:

-267.17

Dipole, Da:

7.98

IP(EA), eV:

 -8.72(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1E)-2-[(1Z)-1-[(3Z)-3-ethylidene-2,4-dimethylideneheptylidene]-7-methoxy-3-propan-2-yl-3,4-dihydro-2H-isoquinolin-6-yl]buta-1,3-dienyl]-2,2-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=NCC(F)(F)F)C(C)C

DOS

IR

Vibrations