Geometry & MOs

Info

ID:	83385
PubChem CID:	49857524
Reduced:	N2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	107.1
Dipole, Da:	4.04
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-pyridin-4-ylethynyl)phenyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations