Geometry & MOs

Info

ID:	166452
PubChem CID:	74689779
Reduced:	O2N3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	14.98
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.213626
Charge, e:	0

Chem-info

IUPAC name:

3-O-(2-methoxyethyl) 6-O-methyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=C(CCCC(=O)[O-])C#N

DOS

IR

Vibrations