Geometry & MOs

Info

ID:	266711
PubChem CID:	103579163
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	299.9665
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	4.84
IP(EA), eV:	-9.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=C(C=C1)Cl)OC

DOS

IR

Vibrations