Geometry & MOs

Info

ID:	280985
PubChem CID:	103852316
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	338.96548
ΔH_f, kcal/mol:	-87.16
Dipole, Da:	3.2
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)[C@H]2CCCO2)C

DOS

IR

Vibrations