Geometry & MOs

Info

ID:	226684
PubChem CID:	87556873
Reduced:	N2C25H26 (1)
Stoich.:	A2B25C26 (1)
Weight, g/mol:	212.95894
ΔH_f, kcal/mol:	74.8
Dipole, Da:	1.15
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(3-fluoroprop-2-ynyl)pyridine

Drug info:

PubChemData

Smile

CC(C)(C)NN=C(CC1=C2CC3=CC=CC=C3C2=CC=C1)C4=CC=CC=C4

DOS

IR

Vibrations