Geometry & MOs

Info

ID:	82154
PubChem CID:	49855697
Reduced:	OSF4N4C26H26 (1)
Stoich.:	ABC4D4E26F26 (1)
Weight, g/mol:	484.219844
ΔH_f, kcal/mol:	-181.73
Dipole, Da:	8.28
IP(EA), eV:	-8.9(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(triazol-2-yl)phenyl]-[8-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCC4(CCC4)CC3CNC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations