Geometry & MOs

Info

ID:

37062

PubChem CID:

8016460

Reduced:

O3C27H40 (1)

Stoich.:

A3B27C40 (1)

Weight, g/mol:

414.179087

ΔHf, kcal/mol:

-105.4

Dipole, Da:

5.69

IP(EA), eV:

 -9.68(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@@H]5[C@H]4CCC6=CC(=O)CC[C@]56C)C)C)OC1

DOS

IR

Vibrations