Geometry & MOs

Info

ID:	54061
PubChem CID:	14719855
Reduced:	Cl2N3O3C24H25 (1)
Stoich.:	A2B3C3D24E25 (1)
Weight, g/mol:	364.118985
ΔH_f, kcal/mol:	-97.71
Dipole, Da:	2.89
IP(EA), eV:	-9.07(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azabicyclo[2.2.2]octan-3-yl 6-chloro-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-carboxylate

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC(=CC(=C2O1)C(=O)NC3CN4CCC3CC4)Cl)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations