Geometry & MOs

Info

ID:	342175
PubChem CID:	127264888
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	333.195346
ΔH_f, kcal/mol:	35.0
Dipole, Da:	6.11
IP(EA), eV:	-9.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-benzyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SN=N1)CNCC2=CC=CC=C2OC

DOS

IR

Vibrations