Geometry & MOs

Info

ID:	83383
PubChem CID:	49857522
Reduced:	N2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	107.0
Dipole, Da:	3.83
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(2-pyridin-4-ylethynyl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC2=CC=NC=C2)N

DOS

IR

Vibrations