Geometry & MOs

Info

ID:	420620
PubChem CID:	135114379
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	324.166077
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	5.25
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations