Geometry & MOs

Info

ID:	54062
PubChem CID:	14719858
Reduced:	ClN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	1.29
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC(=CC(=C2O1)C(=O)OC3CN4CCC3CC4)Cl)C

DOS

IR

Vibrations