Geometry & MOs

Info

ID:	320744
PubChem CID:	126663159
Reduced:	FNOC7H14 (1)
Stoich.:	ABCD7E14 (1)
Weight, g/mol:	592.341341
ΔH_f, kcal/mol:	-93.06
Dipole, Da:	3.22
IP(EA), eV:	-9.18(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[4-methylidene-8-[3-(2-oxo-3H-indol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C/C=C(\CN)/OC(C)CF

DOS

IR

Vibrations