Geometry & MOs

Info

ID:	420596
PubChem CID:	135114170
Reduced:	NF2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-195.91
Dipole, Da:	1.43
IP(EA), eV:	-9.22(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)F

DOS

IR

Vibrations