Geometry & MOs

Info

ID:	266860
PubChem CID:	103579774
Reduced:	FCl2N2O2C12H13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	288.023247
ΔH_f, kcal/mol:	-122.58
Dipole, Da:	5.13
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CNC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations