Geometry & MOs

Info

ID:	327141
PubChem CID:	126689084
Reduced:	NO6C14H25 (1)
Stoich.:	AB6C14D25 (1)
Weight, g/mol:	553.262837
ΔH_f, kcal/mol:	-284.7
Dipole, Da:	5.45
IP(EA), eV:	-9.6(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-7-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-8-(phenylmethoxymethyl)-1,4-dioxa-7-azaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](CC1C(=O)OC)OCCOC

DOS

IR

Vibrations