Geometry & MOs

Info

ID:	344281
PubChem CID:	127267457
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	14.17
Dipole, Da:	3.4
IP(EA), eV:	-9.13(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(6-methyl-3-oxo-1,2-diazaspiro[4.5]decan-1-yl)-2-oxoethyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC2CCN(CC2)C(=O)C3=CN(N=N3)C

DOS

IR

Vibrations