Geometry & MOs

Info

ID:	265365
PubChem CID:	103518515
Reduced:	BrF2N3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	329.00112
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	2.97
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-nitropyridin-4-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC(F)F)C1=C(C=NC=C1N)Br

DOS

IR

Vibrations