Geometry & MOs

Info

ID:	420361
PubChem CID:	135112711
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	383.189672
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	2.48
IP(EA), eV:	-8.7(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-fluorophenyl)phenyl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)C(C)NC(=O)CCC2=CC(=C(C=C2)C)OC

DOS

IR

Vibrations