Geometry & MOs

Info

ID:	185319
PubChem CID:	77285090
Reduced:	ON2F3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	462.213027
ΔH_f, kcal/mol:	-164.15
Dipole, Da:	2.81
IP(EA), eV:	-8.99(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-[3-[5-(trifluoromethyl)pyridin-2-yl]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCCC12CC(CO2)C3=CC=CC(=C3)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations