Geometry & MOs

Info

ID:	24782
PubChem CID:	613389
Reduced:	INO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	423.03314
ΔH_f, kcal/mol:	-76.78
Dipole, Da:	9.11
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3I)C(=O)OC

DOS

IR

Vibrations