Geometry & MOs

Info

ID:

436636

PubChem CID:

135206417

Reduced:

N2O2C12H17 (2)

Stoich.:

A2B2C12D17 (2)

Weight, g/mol:

698.451954

ΔHf, kcal/mol:

-138.1

Dipole, Da:

8.11

IP(EA), eV:

 -9.11(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CN=C(C=N3)OC

DOS

IR

Vibrations