Geometry & MOs

Info

ID:	437229
PubChem CID:	135216342
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	511.203798
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	4.19
IP(EA), eV:	-8.69(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=NC=C(C=C1)C2=CN=C(C(=C2N3CCC(CC3)(C)C)CC(=O)O)C

DOS

IR

Vibrations