Geometry & MOs

Info

ID:	82244
PubChem CID:	49855800
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	4.43
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(2-phenylethynyl)pyridin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CN=C(C=C1)C#CC2=CC=CC=C2

DOS

IR

Vibrations