Geometry & MOs

Info

ID:	184437
PubChem CID:	77159698
Reduced:	ClNO8C43H62 (1)
Stoich.:	ABC8D43E62 (1)
Weight, g/mol:	393.113171
ΔH_f, kcal/mol:	-393.93
Dipole, Da:	6.48
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-chloro-2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-oxopropyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O.CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl

DOS

IR

Vibrations