Geometry & MOs

Info

ID:	139752
PubChem CID:	52589407
Reduced:	Cl2N3O3H17C21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	457.1001
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	6.9
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-benzylpiperidin-3-yl]-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=NC=C2)OC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations