Geometry & MOs

Info

ID:	168428
PubChem CID:	74965952
Reduced:	ClN2F3O3H14C17 (1)
Stoich.:	AB2C3D3E14F17 (1)
Weight, g/mol:	346.10842
ΔH_f, kcal/mol:	-249.27
Dipole, Da:	5.95
IP(EA), eV:	-9.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2,4-dihydroxyphenyl)-[2-(2,6-dimethylpyridin-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC(=C(C=C2O)O)Cl)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations