Geometry & MOs

Info

ID:	242895
PubChem CID:	99213676
Reduced:	FNBr2O2H14C16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	399.05824
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	3.33
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-6-cyclopropyl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N(C)C(=O)COC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations