Geometry & MOs

Info

ID:

439032

PubChem CID:

135228795

Reduced:

N2O5C30H38 (1)

Stoich.:

A2B5C30D38 (1)

Weight, g/mol:

451.283492

ΔHf, kcal/mol:

-187.68

Dipole, Da:

10.36

IP(EA), eV:

 -8.53(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-[(2Z)-2-[6-[(1Z)-1-[amino(propan-2-yl)amino]buta-1,3-dienyl]-3-tert-butyl-7-methyl-3,4-dihydro-2H-isoquinolin-1-ylidene]acetyl]but-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations