Geometry & MOs

Info

ID:	333932
PubChem CID:	127252484
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	283.099063
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	2.32
IP(EA), eV:	-9.74(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane

Drug info:

PubChemData

Smile

CC(=O)N1CC2(C1)CC(OC2)CC3=CN=CC=C3

DOS

IR

Vibrations