Geometry & MOs

Info

ID:	54056
PubChem CID:	14719819
Reduced:	ClNOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	2.25
IP(EA), eV:	-9.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)C2=C(C(=C(C(=C2)CC=C)O)Cl)Cl

DOS

IR

Vibrations