Geometry & MOs

Info

ID:	196899
PubChem CID:	78893019
Reduced:	OF3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-107.5
Dipole, Da:	6.44
IP(EA), eV:	-8.77(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluorophenyl)methyl]-N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C=CC=NC2=C1C(=O)N3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations