Geometry & MOs

Info

ID:	418676
PubChem CID:	135106538
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	339.184586
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	2.09
IP(EA), eV:	-7.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[(2-fluoro-6-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)N(C)C

DOS

IR

Vibrations