Geometry & MOs

Info

ID:	32689
PubChem CID:	7847158
Reduced:	NO3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	5.42
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C

DOS

IR

Vibrations