Geometry & MOs

Info

ID:	5905
PubChem CID:	14001
Reduced:	ON4C29H30 (1)
Stoich.:	AB4C29D30 (1)
Weight, g/mol:	450.241962
ΔH_f, kcal/mol:	68.66
Dipole, Da:	5.76
IP(EA), eV:	-8.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations