Geometry & MOs

Info

ID:	125947
PubChem CID:	50945042
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	275.079373
ΔH_f, kcal/mol:	43.63
Dipole, Da:	5.03
IP(EA), eV:	-8.59(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-4-oxo-1H-quinolin-3-yl)methyl]propanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)N5CCOCC5)C

DOS

IR

Vibrations