Geometry & MOs

Info

ID:	275884
PubChem CID:	103818670
Reduced:	BrFON2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	-3.7
Dipole, Da:	3.55
IP(EA), eV:	-8.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=C(C=C2)F)Br)C3=CN=CO3

DOS

IR

Vibrations