Geometry & MOs

Info

ID:	266745
PubChem CID:	103579272
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	2.78
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC=C(O1)Br

DOS

IR

Vibrations