Geometry & MOs

Info

ID:	415691
PubChem CID:	135088690
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	313.119319
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	5.24
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCCN(CC2)CCN3C(=CC=N3)C

DOS

IR

Vibrations