Geometry & MOs

Info

ID:	168427
PubChem CID:	74965951
Reduced:	O6C25H36 (1)
Stoich.:	A6B25C36 (1)
Weight, g/mol:	386.064504
ΔH_f, kcal/mol:	-286.86
Dipole, Da:	3.45
IP(EA), eV:	-9.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2,4-dihydroxyphenyl)-[2-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC1CC(CC(CC2CC(CC(O2)CC(=O)O1)OC(=O)C3=CC=CC=C3)C)OC

DOS

IR

Vibrations