Geometry & MOs

Info

ID:	203958
PubChem CID:	79893510
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	268.076039
ΔH_f, kcal/mol:	-12.73
Dipole, Da:	2.15
IP(EA), eV:	-8.03(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-amino-1,3-benzoxazol-2-yl)amino]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCCC1CCN(CC1)C2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations