Geometry & MOs

Info

ID:	82155
PubChem CID:	49855698
Reduced:	OF3N6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	499.199523
ΔH_f, kcal/mol:	-99.03
Dipole, Da:	8.9
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-pyrimidin-2-ylphenyl)-[8-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCC4(CCC4)CC3CNC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations