Geometry & MOs

Info

ID:

436652

PubChem CID:

135206624

Reduced:

BrN2O4C19H27 (1)

Stoich.:

AB2C4D19E27 (1)

Weight, g/mol:

635.358388

ΔHf, kcal/mol:

-159.17

Dipole, Da:

6.73

IP(EA), eV:

 -9.07(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[2-(4-pyrazin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C(=NC=C2Br)C=O)C(C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations