Geometry & MOs

Info

ID:	127294
PubChem CID:	50997507
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	449.229012
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	4.4
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,6,6-trifluoro-2-[4-methyl-6-(4-methylphenyl)-2-piperidin-1-ylpyrimidin-5-yl]hexanoate

Drug info:

PubChemData

Smile

CCCC(C1=C(N=C(N=C1C2=C(C=C(C=C2)C)OC)C3=CC=CC=C3)C)C(=O)O

DOS

IR

Vibrations