Geometry & MOs

Info

ID:	277369
PubChem CID:	103828116
Reduced:	FN2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	306.00039
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	6.96
IP(EA), eV:	-9.04(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])F)O

DOS

IR

Vibrations