Geometry & MOs

Info

ID:	83085
PubChem CID:	49857129
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-4.41
Dipole, Da:	2.56
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-pyridin-2-ylethynyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC=C1C#CC2=CC=CC=N2

DOS

IR

Vibrations