Geometry & MOs

Info

ID:	83537
PubChem CID:	49857716
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	3.71
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(CO)CO

DOS

IR

Vibrations