Geometry & MOs

Info

ID:	314622
PubChem CID:	126622472
Reduced:	BrFON3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	284.9749
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	1.6
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromopyridin-2-yl)carbamoyl]aziridine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(NCCC1F)C(=O)NC2=NC(=CC=C2)Br

DOS

IR

Vibrations