Geometry & MOs

Info

ID:	187760
PubChem CID:	77620653
Reduced:	O3N6C25H40 (1)
Stoich.:	A3B6C25D40 (1)
Weight, g/mol:	237.019271
ΔH_f, kcal/mol:	-82.72
Dipole, Da:	5.72
IP(EA), eV:	-8.71(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-chloro-4-oxo-4aH-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1C2C(C(=O)NC(N2)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CC)OCC)N(N1)C

DOS

IR

Vibrations