Geometry & MOs

Info

ID:	335057
PubChem CID:	127253863
Reduced:	N2O4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	395.103669
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	6.2
IP(EA), eV:	-8.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CC=CC=N5)OC

DOS

IR

Vibrations