Geometry & MOs

Info

ID:	429657
PubChem CID:	135169707
Reduced:	F3N11H16C20 (1)
Stoich.:	A3B11C16D20 (1)
Weight, g/mol:	231.98474
ΔH_f, kcal/mol:	91.96
Dipole, Da:	10.71
IP(EA), eV:	-8.99(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(methoxyamino)-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=NC1=C(C(=NC=C1)C=N)N)C(F)(F)F)NC2=CC(=C(N=C2)N3N=CC=N3)C#N

DOS

IR

Vibrations