Geometry & MOs

Info

ID:

400510

PubChem CID:

135048168

Reduced:

N2O3C14H26 (1)

Stoich.:

A2B3C14D26 (1)

Weight, g/mol:

510.309372

ΔHf, kcal/mol:

-130.1

Dipole, Da:

3.07

IP(EA), eV:

 -8.46(0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(5S)-5-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-N-[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]methanimine

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OC)[C@H](C)/C=N\N1CCC[C@H]1COC

DOS

IR

Vibrations