Geometry & MOs

Info

ID:	287806
PubChem CID:	104294922
Reduced:	NBr2F2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	294.037147
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	2.85
IP(EA), eV:	-9.29(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(2,4-difluoro-5-methylphenyl)-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=C(C=C(C(=C2)Br)C)Br)NC

DOS

IR

Vibrations