Geometry & MOs

Info

ID:	334320
PubChem CID:	127252872
Reduced:	BrClNO7H19C23 (1)
Stoich.:	ABCD7E19F23 (1)
Weight, g/mol:	408.158626
ΔH_f, kcal/mol:	-216.2
Dipole, Da:	7.07
IP(EA), eV:	-9.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-quinolin-8-yl-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C(C=C(C=C4)Br)C(=O)O

DOS

IR

Vibrations