Geometry & MOs

Info

ID:	309278
PubChem CID:	126541551
Reduced:	FO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	413.376999
ΔH_f, kcal/mol:	-160.43
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-azaspiro[2.5]octan-5-ylmethyl)-1-methyl-7-(1-methyl-2-azaspiro[4.4]nonan-3-yl)-2-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C=C2C(C)(C)F)O

DOS

IR

Vibrations