Geometry & MOs

Info

ID:	5954
PubChem CID:	14177
Reduced:	FNOC19H26 (1)
Stoich.:	ABCD19E26 (1)
Weight, g/mol:	303.199843
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	3.45
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-azaspiro[4.5]decan-7-yl)-1-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

C1CCC2(C1)CCCN(C2)CCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations