Geometry & MOs

Info

ID:	416198
PubChem CID:	135089208
Reduced:	NF2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-206.4
Dipole, Da:	4.44
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)COC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations