Geometry & MOs

Info

ID:	292919
PubChem CID:	117365110
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-36.95
Dipole, Da:	6.29
IP(EA), eV:	-9.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-(5-amino-1,2-oxazol-3-ylidene)-1-methyl-3,4-dihydro-2H-quinolin-5-one

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=CC=CC(=C2)C(CC(=O)O)N

DOS

IR

Vibrations