Geometry & MOs

Info

ID:	83233
PubChem CID:	49857321
Reduced:	ON2H16C20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	98.88
Dipole, Da:	2.51
IP(EA), eV:	-8.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

DOS

IR

Vibrations