Geometry & MOs

Info

ID:	418580
PubChem CID:	135105907
Reduced:	F2N2O3C16H20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	319.194757
ΔH_f, kcal/mol:	-194.47
Dipole, Da:	4.82
IP(EA), eV:	-8.81(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC=CC=C3OC(F)F

DOS

IR

Vibrations