Geometry & MOs

Info

ID:	205801
PubChem CID:	80159029
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	2.86
IP(EA), eV:	-8.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=NC=C(C=C1)C(=O)OC)C2=CC(=CC=C2)F

DOS

IR

Vibrations