Geometry & MOs

Info

ID:	310006
PubChem CID:	126572697
Reduced:	INOF3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	479.314792
ΔH_f, kcal/mol:	-165.36
Dipole, Da:	3.89
IP(EA), eV:	-9.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C=C1I)C2=CC=C(C=C2)C(F)(F)F)C(=O)N

DOS

IR

Vibrations