Geometry & MOs

Info

ID:	437224
PubChem CID:	135216209
Reduced:	ClF2N2O4C24H27 (1)
Stoich.:	AB2C2D4E24F27 (1)
Weight, g/mol:	478.238019
ΔH_f, kcal/mol:	-216.77
Dipole, Da:	5.66
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(4-fluorophenyl)ethoxy]pyrimidin-2-yl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C(=C(N=C1Cl)C=O)C2=CC(=C(C(=C2)F)OC)F)N3CCC(CC3)(C)C

DOS

IR

Vibrations