Geometry & MOs

Info

ID:	54058
PubChem CID:	14719838
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	2.75
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC(=CC(=C2O1)C(=O)NC3CN4CCC3CC4)Cl

DOS

IR

Vibrations