Geometry & MOs

Info

ID:	416630
PubChem CID:	135089852
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	3.29
IP(EA), eV:	-8.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=CN=C(N=C3)N4CCOCC4

DOS

IR

Vibrations