Geometry & MOs

Info

ID:

312029

PubChem CID:

126601975

Reduced:

N2O3C32H40 (1)

Stoich.:

A2B3C32D40 (1)

Weight, g/mol:

500.303893

ΔHf, kcal/mol:

-121.04

Dipole, Da:

2.58

IP(EA), eV:

 -8.95(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-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=CC=C(C=C1)C2=C(C(=NC(=C2C3=CC4=C(CNCC4)C=C3)C)C)C(C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations