Geometry & MOs

Info

ID:

438859

PubChem CID:

135228617

Reduced:

FO2N3C27H32 (1)

Stoich.:

AB2C3D27E32 (1)

Weight, g/mol:

464.303893

ΔHf, kcal/mol:

-22.38

Dipole, Da:

7.87

IP(EA), eV:

 -8.99(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,3Z)-1-[6-[(1E)-1-(2,2-dimethylpropylamino)buta-1,3-dien-2-yl]-7-methoxy-3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-ylidene]-3-ethylidenepentane-2,4-dione

Drug info:

PubChemData

Smile

CC1C=CC2=C([C@@H]1F)C(N3C2=CN=C3)C[C@@H](C4CCC(CC4)NC(=O)CC5=CC=CC=C5)O

DOS

IR

Vibrations