Geometry & MOs

Info

ID:	266782
PubChem CID:	103579391
Reduced:	FNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	2.93
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-pent-1-yn-3-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=CC(=C1)F)O

DOS

IR

Vibrations