Geometry & MOs

Info

ID:	67609
PubChem CID:	46506808
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	347.16452
ΔH_f, kcal/mol:	-116.48
Dipole, Da:	3.83
IP(EA), eV:	-9.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations