Geometry & MOs

Info

ID:	43286
PubChem CID:	10320706
Reduced:	F2N2O6H20C21 (1)
Stoich.:	A2B2C6D20E21 (1)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	-297.06
Dipole, Da:	5.05
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-(7-fluoro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CO)F)F

DOS

IR

Vibrations