Geometry & MOs

Info

ID:	334353
PubChem CID:	127252905
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	424.153541
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	5.08
IP(EA), eV:	-8.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-(2-oxo-1H-quinolin-3-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

CN1C=C(C2=CC=CC=C21)CCNC(=O)C[C@H]3C(=O)N(C(=O)N3)C4=CC=CC=C4

DOS

IR

Vibrations