Geometry & MOs

Info

ID:	421461
PubChem CID:	135116047
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	403.272259
ΔH_f, kcal/mol:	19.19
Dipole, Da:	3.7
IP(EA), eV:	-9.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC2=NC=NC(=C2)N)CC3=CC=NC=C3

DOS

IR

Vibrations