Geometry & MOs

Info

ID:	376481
PubChem CID:	134222496
Reduced:	FO5N8C32H33 (1)
Stoich.:	AB5C8D32E33 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-121.45
Dipole, Da:	15.22
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(6-cyclohexyloxyquinolin-2-yl)methyl]piperidine-4-carboperoxoate

Drug info:

PubChemData

Smile

C1COC(=O)C1N2CCC3=C(C2)C=CC=C3NC(=O)C4CC(CN4C(CN5C6=C(C=C(C=C6)C7=CN=NC=C7)C(=N5)C(=O)N)O)F

DOS

IR

Vibrations