Geometry & MOs

Info

ID:	37256
PubChem CID:	8018810
Reduced:	OSF2N2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	1.22
IP(EA), eV:	-9.13(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations