Geometry & MOs

Info

ID:	21081
PubChem CID:	587116
Reduced:	ClON3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	259.05124
ΔH_f, kcal/mol:	65.0
Dipole, Da:	2.53
IP(EA), eV:	-9.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorobenzoyl)-4,5-diazaspiro[2.4]hept-5-ene-6-carbonitrile

Drug info:

PubChemData

Smile

C1CC12CC(=NN2C(=O)C3=CC=C(C=C3)Cl)C#N

DOS

IR

Vibrations