Geometry & MOs

Info

ID:	126416
PubChem CID:	50964165
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-41.02
Dipole, Da:	6.62
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)C3=C(N=CN3[C@H](C)C(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations