Geometry & MOs

Info

ID:	124981
PubChem CID:	50906207
Reduced:	Cl3N3O3H18C19 (1)
Stoich.:	A3B3C3D18E19 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-88.5
Dipole, Da:	4.0
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxy-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-10-yl)acetamide

Drug info:

PubChemData

Smile

CO[C@@H]1CC=C2[C@@](O1)(CC(=O)N(N2)C3=CC(=CC(=C3)Cl)Cl)C4=CC=NC=C4.Cl

DOS

IR

Vibrations