Geometry & MOs

Info

ID:	272747
PubChem CID:	103754414
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	336.98622
ΔH_f, kcal/mol:	1.63
Dipole, Da:	3.25
IP(EA), eV:	-9.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN(C)C(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations