Geometry & MOs

Info

ID:	342696
PubChem CID:	127265856
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	365.057862
ΔH_f, kcal/mol:	-2.1
Dipole, Da:	4.31
IP(EA), eV:	-9.06(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-5-fluoro-2-nitrophenyl)-1-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)C=CC2=NC=NC=C2C(=O)OC

DOS

IR

Vibrations