Geometry & MOs

Info

ID:	342708
PubChem CID:	127265868
Reduced:	N2O2C7H7 (2)
Stoich.:	A2B2C7D7 (2)
Weight, g/mol:	344.036398
ΔH_f, kcal/mol:	-8.45
Dipole, Da:	4.15
IP(EA), eV:	-9.88(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-chloro-2-(5-fluoro-1,3-benzoxazol-2-yl)ethenyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C=CC2=C(C=C(C=N2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations