Geometry & MOs

Info

ID:	290503
PubChem CID:	104643205
Reduced:	BrFN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	274.0117
ΔH_f, kcal/mol:	-104.21
Dipole, Da:	2.3
IP(EA), eV:	-9.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromobutan-2-yl)-5-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OCCBr)C(=O)C2=NC=C(C=C2)F

DOS

IR

Vibrations