Geometry & MOs

Info

ID:	30813
PubChem CID:	841960
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	10.01
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N

DOS

IR

Vibrations