Geometry & MOs

Info

ID:	209369
PubChem CID:	80660056
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	335.92959
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	3.56
IP(EA), eV:	-9.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-bromoethyl)-N-ethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCBr)C(=O)C1=C(C=CC=C1F)OC

DOS

IR

Vibrations