Geometry & MOs

Info

ID:	185317
PubChem CID:	77285088
Reduced:	N2F3O3C25H29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	434.113953
ΔH_f, kcal/mol:	-279.19
Dipole, Da:	5.22
IP(EA), eV:	-9.45(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[5-(trifluoromethyl)pyridin-2-yl]phenyl]-1-oxa-8-azaspiro[4.5]decane;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)C3=CC=CC(=C3)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations