Geometry & MOs

Info

ID:	414674
PubChem CID:	135087633
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	357.175165
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	4.08
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCC2)NCC3=CC(=CC=C3)C(=O)NC

DOS

IR

Vibrations