Geometry & MOs

Info

ID:	374214
PubChem CID:	131325521
Reduced:	BrOSN4H7C9 (1)
Stoich.:	ABCD4E7F9 (1)
Weight, g/mol:	205.053907
ΔH_f, kcal/mol:	39.56
Dipole, Da:	5.18
IP(EA), eV:	-8.99(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)C2C(=O)NC(=S)N=N2)Br

DOS

IR

Vibrations