Geometry & MOs

Info

ID:	298838
PubChem CID:	117661193
Reduced:	O6N9C35H45 (1)
Stoich.:	A6B9C35D45 (1)
Weight, g/mol:	362.9518
ΔH_f, kcal/mol:	-135.13
Dipole, Da:	4.06
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,6-tetrafluoro-5-methylphenyl) 5-bromopyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(N1N=C(N=N1)C2=C(C=NN2C)C3=CC=C(C=C3)C(=O)N([C@@H]4CCCN(C4)C(=O)OC(C)(C)C)C5=C(C=CC=N5)C)OC(=O)OC(C)C

DOS

IR

Vibrations