Geometry & MOs

Info

ID:	362155
PubChem CID:	127305841
Reduced:	FN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-174.1
Dipole, Da:	4.61
IP(EA), eV:	-9.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-oxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3CC(=O)NC4=C3C=CC(=C4)F

DOS

IR

Vibrations