Geometry & MOs

Info

ID:	266699
PubChem CID:	103579125
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	3.11
IP(EA), eV:	-9.87(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CC1CCCCO1

DOS

IR

Vibrations