Geometry & MOs

Info

ID:	211665
PubChem CID:	81049300
Reduced:	FCl2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	4.52
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-carbamoyl-2,6-dimethylpyridin-4-yl)-cyclopentylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=C(C=CC=C2OC)OC)Cl

DOS

IR

Vibrations