Geometry & MOs

Info

ID:

312028

PubChem CID:

126601973

Reduced:

BrNO5C25H32 (1)

Stoich.:

ABC5D25E32 (1)

Weight, g/mol:

500.303893

ΔHf, kcal/mol:

-209.61

Dipole, Da:

3.84

IP(EA), eV:

 -8.51(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[2,6-dimethyl-4-(4-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)C(C(=O)OC(C)C)OC(C)(C)C)C2=CC3=C(C=C2)OCCC3)Br

DOS

IR

Vibrations