Geometry & MOs

Info

ID:	82102
PubChem CID:	49855606
Reduced:	N2O2H10C13 (1)
Stoich.:	A2B2C10D13 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	0.24
Dipole, Da:	6.36
IP(EA), eV:	-9.1(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(2-phenylethynyl)pyridin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C(=O)C2=CC=NC=C2)N

DOS

IR

Vibrations