Geometry & MOs

Info

ID:	202793
PubChem CID:	79728045
Reduced:	ClFON2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	258.093519
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	4.02
IP(EA), eV:	-8.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-chloro-3-fluoropyridin-2-yl)pyrrolidin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(CNC2=C(C=C(C=N2)Cl)F)O)C

DOS

IR

Vibrations