Geometry & MOs

Info

ID:

436671

PubChem CID:

135207318

Reduced:

ClN2O2C16H23 (1)

Stoich.:

AB2C2D16E23 (1)

Weight, g/mol:

643.384603

ΔHf, kcal/mol:

-100.12

Dipole, Da:

1.6

IP(EA), eV:

 -9.1(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[2-(4-morpholin-4-yl-1,3,5-triazin-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=C(C=CC(=C1)C2(CNCCN2C(=O)O)C(C)(C)C)Cl

DOS

IR

Vibrations