Geometry & MOs

Info

ID:	82324
PubChem CID:	49855892
Reduced:	OSF4N4C27H28 (1)
Stoich.:	ABC4D4E27F28 (1)
Weight, g/mol:	498.235494
ΔH_f, kcal/mol:	-193.83
Dipole, Da:	5.55
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCC4(CCCC4)CC3CNC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations