Geometry & MOs

Info

ID:

438940

PubChem CID:

135228701

Reduced:

N4O5C32H38 (1)

Stoich.:

A4B5C32D38 (1)

Weight, g/mol:

458.293328

ΔHf, kcal/mol:

-159.41

Dipole, Da:

6.11

IP(EA), eV:

 -8.64(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-3-tert-butyl-1-[(E)-3-(1-ethoxyethenyl)-2-methylidenepent-3-enylidene]-7-methoxy-6-(6-methylpyridin-3-yl)-3,4-dihydro-2H-isoquinoline

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)N5CCN(CC5)C(=O)C)C(C)(C)C

DOS

IR

Vibrations