Geometry & MOs

Info

ID:	305824
PubChem CID:	124970871
Reduced:	FON5C25H34 (1)
Stoich.:	ABC5D25E34 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	3.26
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-methoxy-9-[(2-methylpyrimidin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N)[C@@]2(CCCN(C2)C(=O)C3(CCN(CC3)C)CC4=CC=CC=C4F)C

DOS

IR

Vibrations