Geometry & MOs

Info

ID:	126257
PubChem CID:	50957896
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	-7.46
Dipole, Da:	3.92
IP(EA), eV:	-8.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C1=NC=C(C=N1)CNCC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations