Geometry & MOs

Info

ID:	82325
PubChem CID:	49855893
Reduced:	OF3N6C26H29 (1)
Stoich.:	AB3C6D26E29 (1)
Weight, g/mol:	507.249747
ΔH_f, kcal/mol:	-111.25
Dipole, Da:	3.88
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenylphenyl)-[9-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-8-azaspiro[4.5]decan-8-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCC4(CCCC4)CC3CNC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations