Geometry & MOs

Info

ID:	421161
PubChem CID:	135115489
Reduced:	FNO3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-176.38
Dipole, Da:	6.46
IP(EA), eV:	-9.02(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-methyl-9-[(2-phenylpyrimidin-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=C(C=C(C=C3)OC)F)O

DOS

IR

Vibrations