Geometry & MOs

Info

ID:

444960

PubChem CID:

135264051

Reduced:

O3N4C32H36 (1)

Stoich.:

A3B4C32D36 (1)

Weight, g/mol:

566.325691

ΔHf, kcal/mol:

-55.52

Dipole, Da:

12.37

IP(EA), eV:

 -9.16(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[5-methyl-2-(2,3,5,6-tetramethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC4=C(CCN(C4)C(=O)C5=CC(=C(C(=C5)C)C)C)C=C3)C(C)C(=O)O)C)N=N1

DOS

IR

Vibrations