Geometry & MOs

Info

ID:	138231
PubChem CID:	52332031
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	17.08
Dipole, Da:	4.3
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NNC(=O)[C@H]2CCCN(C2)CC3=CC=CC=C3)C

DOS

IR

Vibrations