Geometry & MOs

Info

ID:	54057
PubChem CID:	14719837
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-106.51
Dipole, Da:	2.35
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)NC(=O)C3=C4C(=CC(=C3)Cl)NC(=O)CO4

DOS

IR

Vibrations