Geometry & MOs

Info

ID:

436643

PubChem CID:

135206526

Reduced:

O2N3C19H23 (2)

Stoich.:

A2B3C19D23 (2)

Weight, g/mol:

729.438468

ΔHf, kcal/mol:

-95.27

Dipole, Da:

7.05

IP(EA), eV:

 -8.57(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[(2-chloro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-6-(2-piperidin-1-ylethylamino)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)C2=CC3=C(CN(CC3)C4=NC=CC(=N4)C5=CN=CC=C5)C=C2)N6CCC(CC6)(C)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations