Geometry & MOs

Info

ID:	335013
PubChem CID:	127253819
Reduced:	ClN4O5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	8.96
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2-methoxyethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=NN(C=N4)C

DOS

IR

Vibrations