Geometry & MOs

Info

ID:	31157
PubChem CID:	854858
Reduced:	NO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	333.136493
ΔH_f, kcal/mol:	-43.06
Dipole, Da:	3.76
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations