Geometry & MOs

Info

ID:	295282
PubChem CID:	117524860
Reduced:	BrON2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	318.00039
ΔH_f, kcal/mol:	42.02
Dipole, Da:	5.74
IP(EA), eV:	-9.35(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=N3)Br

DOS

IR

Vibrations