Geometry & MOs

Info

ID:	274181
PubChem CID:	103807594
Reduced:	BrFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	2.78
IP(EA), eV:	-8.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)NC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations