Geometry & MOs

Info

ID:	293567
PubChem CID:	117393255
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	256.082347
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	3.98
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)Br)/C=C/CN)O

DOS

IR

Vibrations