Geometry & MOs

Info

ID:	147532
PubChem CID:	53787188
Reduced:	FN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	269.001034
ΔH_f, kcal/mol:	-81.79
Dipole, Da:	3.91
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,6-dichloro-4-(1H-pyrrol-2-yl)benzoate

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C2=C(C3=C(N2C)C=CC(=C3)F)C(=O)C(=O)N(C)C)C

DOS

IR

Vibrations