Geometry & MOs

Info

ID:	421358
PubChem CID:	135115858
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	284.168877
ΔH_f, kcal/mol:	-32.43
Dipole, Da:	5.19
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propyl]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)CCN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations