Geometry & MOs

Info

ID:	82243
PubChem CID:	49855799
Reduced:	BrN2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	78.85
Dipole, Da:	2.66
IP(EA), eV:	-9.27(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-(2-phenylethynyl)pyridin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=NC3=CC=CC=C3N=C12)Br

DOS

IR

Vibrations