Geometry & MOs

Info

ID:	203926
PubChem CID:	79891080
Reduced:	ON3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	320.9913
ΔH_f, kcal/mol:	29.81
Dipole, Da:	2.37
IP(EA), eV:	-8.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-bromo-4-fluorophenyl)-1,3-benzoxazole-2,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=NC3=C(O2)C=C(C=C3)N

DOS

IR

Vibrations