Geometry & MOs

Info

ID:	54060
PubChem CID:	14719844
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	473.127297
ΔH_f, kcal/mol:	-81.54
Dipole, Da:	2.72
IP(EA), eV:	-8.98(-1.12)
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-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=C3C(=CC(=C2)Cl)NC(=O)CO3)CC4=CC=CC=C4

DOS

IR

Vibrations