Geometry & MOs

Info

ID:	54059
PubChem CID:	14719840
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-120.39
Dipole, Da:	3.0
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-6-chloro-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC(=CC(=C2OC(C1=O)C)C(=O)NC3CN4CCC3CC4)Cl

DOS

IR

Vibrations