Geometry & MOs

Info

ID:

438761

PubChem CID:

135228515

Reduced:

NOC8H11 (4)

Stoich.:

ABC8D11 (4)

Weight, g/mol:

435.288577

ΔHf, kcal/mol:

-117.54

Dipole, Da:

4.58

IP(EA), eV:

 -8.62(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-[(1Z)-3-tert-butyl-1-[(E)-3-(1-ethoxyethenyl)-2-methylidenepent-3-enylidene]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-yl]-3-iminoprop-1-en-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3C(C(=C(C=C3C2=CC1=O)OC)C4C=CC(=NC4C)N5CCNCC5)C)C(C)(C)C

DOS

IR

Vibrations