Geometry & MOs

Info

ID:	83379
PubChem CID:	49857517
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	21.8
Dipole, Da:	8.23
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C(C2CNCC3=CC4=CC=CC=C4C=C3)CN1C5=NC=C(C=N5)C(=O)O

DOS

IR

Vibrations