Geometry & MOs

Info

ID:	167878
PubChem CID:	74889155
Reduced:	ClFO2N3C24H29 (1)
Stoich.:	ABC2D3E24F29 (1)
Weight, g/mol:	241.96909
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	5.64
IP(EA), eV:	-8.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)OC3=CC=C(C=C3)F)C(=O)N1C[C@H]4CCCN(C4)C(C)C.Cl

DOS

IR

Vibrations