Geometry & MOs

Info

ID:	314621
PubChem CID:	126622467
Reduced:	NO3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	315.03825
ΔH_f, kcal/mol:	-155.01
Dipole, Da:	6.28
IP(EA), eV:	-10.3(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-2-yl)-5-fluoroazepane-2-carboxamide

Drug info:

PubChemData

Smile

C(CC(=O)N)C(CO)CO

DOS

IR

Vibrations