Geometry & MOs

Info

ID:

438906

PubChem CID:

135228667

Reduced:

N4O4C27H30 (1)

Stoich.:

A4B4C27D30 (1)

Weight, g/mol:

450.288243

ΔHf, kcal/mol:

-107.34

Dipole, Da:

14.53

IP(EA), eV:

 -8.77(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,3Z)-1-[6-[(1E)-1-(butylamino)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

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(N=C4)N5CCCC5

DOS

IR

Vibrations