Geometry & MOs

Info

ID:	142208
PubChem CID:	53000620
Reduced:	ClN3O5H20C25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	397.142641
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	10.99
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC=NC=C3)CC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations