Geometry & MOs

Info

ID:	172412
PubChem CID:	75505802
Reduced:	BrN6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	313.122655
ΔH_f, kcal/mol:	129.3
Dipole, Da:	5.43
IP(EA), eV:	-9.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-pyrrol-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=NN=NN2CCCN3C=CN=C3)Br

DOS

IR

Vibrations