Geometry & MOs

Info

ID:	437239
PubChem CID:	135216744
Reduced:	ClN3O3C28H32 (1)
Stoich.:	AB3C3D28E32 (1)
Weight, g/mol:	511.203798
ΔH_f, kcal/mol:	-81.61
Dipole, Da:	4.12
IP(EA), eV:	-8.89(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[6-[2-(4-chlorophenyl)ethoxy]-5-fluoropyridin-3-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)COC2=NC=C(C=C2)C3=CN=C(C(=C3N4CCC(CC4)(C)C)CC(=O)O)C

DOS

IR

Vibrations