Geometry & MOs

Info

ID:	418394
PubChem CID:	135104501
Reduced:	N3O3F4C16H17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	339.184586
ΔH_f, kcal/mol:	-289.95
Dipole, Da:	4.57
IP(EA), eV:	-9.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C2=CC=CC=C2OC(C(F)F)(F)F

DOS

IR

Vibrations