Geometry & MOs

Info

ID:	429856
PubChem CID:	135169909
Reduced:	ISO2N4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	228.03017
ΔH_f, kcal/mol:	60.15
Dipole, Da:	3.26
IP(EA), eV:	-8.76(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-(methoxyamino)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN(CC=C)C(=O)C1=CC2=C(N=C1)N(C=C2C3=CC(=C4C(=C3)C=CC=N4)OC)SI

DOS

IR

Vibrations