Geometry & MOs

Info

ID:

400624

PubChem CID:

135048527

Reduced:

SO4C21H30 (1)

Stoich.:

AB4C21D30 (1)

Weight, g/mol:

526.340673

ΔHf, kcal/mol:

-171.87

Dipole, Da:

6.16

IP(EA), eV:

 -8.48(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCC[C@]1(C=CC[C@@H]1O)S(=O)C2=CC=CC=C2

DOS

IR

Vibrations