Geometry & MOs

Info

ID:	415372
PubChem CID:	135088366
Reduced:	FO6N8C34H43 (1)
Stoich.:	AB6C8D34E43 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-228.35
Dipole, Da:	3.3
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[(1-propylpiperidin-3-yl)amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=C(N3C=C(C=CC3=N2)C)F)C)CC4=CC=CC=C4

DOS

IR

Vibrations