Geometry & MOs

Info

ID:	344095
PubChem CID:	127267271
Reduced:	ClN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	255.057468
ΔH_f, kcal/mol:	-24.74
Dipole, Da:	6.43
IP(EA), eV:	-9.81(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(5-fluoropyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)N2CCC=C(C2)Cl

DOS

IR

Vibrations