Geometry & MOs

Info

ID:	334811
PubChem CID:	127253486
Reduced:	ClN2O7H23C24 (1)
Stoich.:	AB2C7D23E24 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-220.88
Dipole, Da:	4.98
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-(8-methoxy-4-oxo-1H-quinoline-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)N[C@H](C4=CC=C(C=C4)O)C(=O)N

DOS

IR

Vibrations